ライフサイエンスコーパス: wavefunction

1 paration and measurement of the ground-state wavefunction.

2 ms theory to their full molecular electronic wavefunction.

3 xist due to the geometry of the ground state wavefunction.

4 m destructive interference of the electronic wavefunction.

5 fast control over the macroscopic condensate wavefunction.

6 open shell configurations are present in the wavefunction.

7 to vary the phase of the macroscopic quantum wavefunction.

8 abilized valence bond structures into the TS wavefunction.

9 result of the presence of the excited state wavefunction.

10 cs, complex numbers are used to describe the wavefunction.

11 pairs, with Fermi surface nodes in the pair wavefunction.

12 to the near-field component of the photon's wavefunction.

13 eak measurements of the momentum in a vortex wavefunction.

14 d by Anderson localization of the electronic wavefunction.

15 irect signatures of correlated many-electron wavefunctions.

16 esponding hydrogen and deuterium vibrational wavefunctions.

17 antitative description of their ground state wavefunctions.

18 product mixed electronic-proton vibrational wavefunctions.

19 ed with significantly delocalized electronic wavefunctions.

20 uantum geometry from the underlying electron wavefunctions.

21 ) due to symmetry constrains on the electron wavefunctions.

22 tries and the topological obstruction of the wavefunctions.

23 s by varying the constituent single-particle wavefunctions.

24 braiding physics aims to entangle multi-band wavefunctions.

25 obtained with explicitly correlated Gaussian wavefunctions.

26 an efficient way to record the large system wavefunctions.

27 ed by the topological properties of the bulk wavefunctions.

28 eoretically using Gutzwiller-projected trial wavefunctions.

29 upling (SOC) between the singlet and triplet wavefunctions.

30 king and minimizes the interlayer overlap of wavefunctions.

31 ying the pseudospin character of the carrier wavefunctions.

32 electron pairs with spin 1 and an odd-parity wavefunction(1).

33 et Cooper pairs with S = 1 and an odd parity wavefunction(3).

34 s performed on a quantum many-body entangled wavefunction-a unique opportunity afforded by our platfo

35 (a geometric quantum phase) of the electron wavefunction--a consequence of the exceptional topology

36 ght-driven crystals, in which the electronic wavefunction accumulates a geometric phase during a disc

37 Direct access to the phase of the wavefunction allows us to also measure the local coheren

38 nformation about delocalization of excitonic wavefunction along the tube.

39 The larger multielectron wavefunctions also enable significant overlap between ne

40 sly broken spin or pseudospin symmetry whose wavefunctions also have topological properties(1,2).

41 In earlier work we calculated the wavefunction and energy of the solvated polaron in DNA w

42 sing the matrix product state ansatz for the wavefunction and for the thermofield purification of the

43 s vertical decays that depend sensitively on wavefunction and lateral position.

44 ed forms, spikes appearing in the condensate wavefunction and oscillating remnant condensates that su

45 show that the properties of the ground-state wavefunction and the holon excitation of the 2D Hubbard

46 xperimentally explore collapse models of the wavefunction and the potential for mechanical-resonator-

47 a many-body system and its electron density, wavefunction and, therefore, one-particle reduced densit

48 efunction ansatz that results in approximate wavefunctions and energies.

49 nsequently, unavoidable variability in their wavefunctions and energies.

50 solid-state materials is determined by their wavefunctions and interactions with the environment.

51 baseline, incorporates the physics of valid wavefunctions and is trained using variational quantum M

52 generates nanoscale views of the electronic wavefunctions and magnetic order at topological surfaces

53 s in the delocalization of electron and hole wavefunctions and show that spin relaxation in the spin

54 s (VAE) for the unsupervised learning of DFT wavefunctions and show that these wavefunctions lie in a

55 erties define the nature of the ground state wavefunctions and so serve as a sensitive and quantitati

56 ables us to directly image electron and hole wavefunctions and to determine the thermodynamic gap of

57 essing the complex interplay between quantum wavefunctions and various factors such as dimensionality

58 on an explicit ansatz for the many-electron wavefunctions and, hence, potentially more accurate--hav

59 sociation spectra; these probe the molecular wavefunction, and yield binding energies that are consis

60 observation of interference effects in their wavefunctions, and enables applications such as supercon

61 Here we propose PauliNet, a deep-learning wavefunction ansatz that achieves nearly exact solutions

62 n that it typically relies on a pre-selected wavefunction ansatz that results in approximate wavefunc

63 been only limited by the flexibility of the wavefunction ansatz used.

64 hods, so we have resorted to multi-reference wavefunction approaches, the entry level of which is the

65 These Bloch wavefunctions are compactly visualized on the surface of

66 ers have, however, established that the hole wavefunctions are delocalized.

67 y another, are excited Rydberg states, where wavefunctions are expanded from their ground-state exten

68 le-domain heterostructures, however, carrier wavefunctions are more complex and still not well unders

69 spillover of the oxygen-atom conduction-band wavefunctions are resolved.

70 of orbital lobes that best overlap with the wavefunction around an atom.

71 eoretically recasting a phase in the qubit's wavefunction as a topological winding number, we can sat

72 l access to the electronic structure via the wavefunction at force-field-like efficiency and captures

73 ge loss, and (ii) delocalization of electron wavefunctions at donor/acceptor interfaces that signific

74 ological change in the underlying electronic wavefunctions at such interfaces.

75 y functional theory and multiconfigurational wavefunction-based computations were used to understand

76 demonstrates that modern implementations of wavefunction-based correlated methods are playing an inc

77 strate a generic advantage of neural network wavefunction-based methods and broaden their applicabili

78 rough virtual screening because the required wavefunction-based methods are expensive and unsuitable

79 density functional theory and multireference wavefunction-based methods indicate a highly multiconfig

80 to appreciable overlap of quantum mechanical wavefunctions between neighboring delta-doped layers.

81 d the charge-shift bond, the block-localized wavefunction (BLW) method which falls into the ab initio

82 tainty principle governs the dynamics of the wavefunction by enforcing a lower bound on the measureme

83 PL lifetime (~few 100 ns) together with our wavefunction calculations confirm the type-II electronic

84 litatively correct approximation to the S(1) wavefunction can be achieved by performing a small "two

85 control over the spatial distribution of the wavefunction can be obtained by increasing the number of

86 ions within a symmetry-unbroken ground-state wavefunction can show up in approximate density function

87 quantum systems--notably in photonics, where wavefunctions can be observed directly--provide versatil

88 l between the statistical irreversibility of wavefunction collapse and the arrow of time problem in t

89 Partial measurement, where full wavefunction collapse is not the only outcome, provides

90 Wavefunction collapse models modify Schrodinger's equati

91 In quantum mechanics, measurements cause wavefunction collapse that yields precise outcomes, wher

92 amics make a smooth transition from standard wavefunction collapse to localized persistent diffusion

93 surement dynamics, typically associated with wavefunction collapse, and unitary evolution of the quan

94 exciton formation process and the real-space wavefunction confinement is indispensable.

95 In superconducting Rashba metals a pairing wavefunction constructed from these complex spin structu

96 The simplest coherent wavefunction control uses a two-eigenstate admixture, bu

97 fluenced by the topology of their electronic wavefunctions coupled with the magnetic spin configurati

98 arrier structures is attributed to increased wavefunction coupling and enhanced carrier transport acr

99 uction reveals a remarkable phenomenon where wavefunction delocalization and Coulomb gap collapse are

100 e bulk of the polymer film, leading to large wavefunction delocalization and low site energies.

101 s to T1 states can be strongly suppressed by wavefunction delocalization, allowing for the dissociati

102 er: which boosts exciton spectral weight via wavefunction delocalization.

103 show how interference effects of the quantum wavefunction describing multiple electrons can be used t

104 Third, we reconstruct the wavefunction distribution of the electronic part of the

105 n and hole quasiparticles have complementary wavefunction distributions and that thermodynamic gaps o

106 paves the way for ultrafast measurements of wavefunction dynamics in atomically precise nanostructur

107 Here, we apply embedded correlated wavefunction (ECW) theory, which corrects XC functional

108 Here, we apply embedded correlated wavefunction (ECW) theory, which regionally corrects the

109 strating that strong quantum confinement and wavefunction engineering in heterostructured nanocrystal

110 refore motivate the need to analyse electron wavefunctions, especially their wavefronts, to obtain in

111 factorized into a product of single-particle wavefunctions, even when the constituent particles are e

112 o atoms into the same physical location, the wavefunction exchange symmetry of these identical bosons

113 We find that the exciton wavefunctions exhibit vortex structures in momentum spac

114 ircles a conical intersection, the molecular wavefunction experiences a geometric phase, which can af

115 ypically only a small fraction of a particle wavefunction extends into the tunneling region, we prese

116 e of Wannier type, meaning that each exciton wavefunction extends over multiple unit cells, but with

117 However, accurately storing the wavefunction for a classical computation of those quanti

118 an unexpected structure in the high-momentum wavefunction for hydrogen-3 and helium-3.

119 The wavefunction for indistinguishable fermions is anti-symm

120 MC) obtains a very compact, but high-quality wavefunction for this system that lacks the strong basis

121 of freedom cannot be written as a product of wavefunctions for each degree of freedom-becomes visible

122 c groups and complex global migration of the wavefunction from the outer to inner ring, which may hav

123 Using variational wavefunctions, gauge theoretic arguments, and ultimately

124 Given its innate coupling with wavefunction geometry in solids and its potential to boo

125 First, when the exciton wavefunction has a substantial charge-transfer character

126 Various EBeam wavefunctions have been demonstrated, such as vortex, se

127 for the prediction of the quantum mechanical wavefunction in a local basis of atomic orbitals from wh

128 he non-trivial topology of the quasiparticle wavefunction in momentum space near nodal points.

129 The system is solved by expanding the wavefunction in terms of the isotropic harmonic oscillat

130 ameters and to show it depends explicitly on wavefunctions in addition to standard band structure.

131 Topological invariants of electron wavefunctions in condensed matter reveal many intriguing

132 Quantum fluctuations of wavefunctions in disorder-driven quantum phase transitio

133 us on ~100 fs time scale and its anisotropic wavefunctions in energy-momentum space, illuminating its

134 e interactions on highly localized fermionic wavefunctions in f- and d-atomic orbitals.

135 Exchange-antisymmetric pair wavefunctions in fermionic systems can give rise to unco

136 ontrolled 'engineering' of electron and hole wavefunctions in individual nanocrystals.

137 can be used to reconstruct low-energy Bloch wavefunctions in many of these materials, enabling impor

138 demonstrate the coherent control of impurity wavefunctions in the most ubiquitous donor in a semicond

139 spectroscopic measurements have only probed wavefunctions indirectly, preventing direct experimental

140 s happens across potential barriers when the wavefunction interferes constructively outside the barri

141 e advantage that the reconstructed exit-face wavefunction is free of the aberrations of the objective

142 The SHDMC wavefunction is of higher quality compared to that obtai

143 ifferent sequences, we find that the polaron wavefunction is predominantly on one of the two chains,

144 , when the phase coherence of the electronic wavefunction is preserved around the ring.

145 erence and interference of quantum many-body wavefunctions is a fascinating phenomenon with potential

146 normal-state or superconducting ground-state wavefunctions, is crucial for enabling Majorana zero mod

147 The latter, at the level of wavefunctions, is of prime importance since essentially

148 tramolecular redistribution of excited state wavefunction, leading, in turn, to different time-scales

149 le unprecedented spatial control of electron wavefunctions, leading to emerging quantum states.

150 oupling is quantitatively controlled through wavefunction leakage out of the core/shell semiconductor

151 ing of DFT wavefunctions and show that these wavefunctions lie in a low-dimensional manifold within l

152 fect, where dissipation leads to exponential wavefunction localization at the ferromagnet-chiral mole

153 hain, including chiral transport, quadrature wavefunction localization, and sensitivity to boundary c

154 tu graphene quantum dot (GQD) creation and a wavefunction mapping technique(11,12), quantum scars are

155 Wavefunction matching transforms the interaction between

156 he problem by introducing an approach called wavefunction matching.

157 Now, using the extended block-localized wavefunction method, which is the simplest form of valen

158 ed copper studied by the embedded correlated wavefunction method.

159 tions [CCSD(T)] are state-of-the-art trusted wavefunction methods that have been shown to yield accur

160 ngredients of such a wide tunability are the wavefunction mixing and overlap between the electron and

161 m mechanical effects-entanglement, where the wavefunction of a system with several degrees of freedom

162 uantum processor, we create the ground-state wavefunction of D(4) topological order on a kagome latti

163 in recent years has the ability to shape the wavefunction of EBeams (Electron-Beams) become experimen

164 ics once they become sensitive to the finite wavefunction of quantum objects oscillating in curved sp

165 The wavefunction of the condensate is an order parameter who

166 nfinement in semiconductors can compress the wavefunctions of band electrons and holes to nanometre-s

167 escribed as instabilities in the spectra and wavefunctions of effective non-Hermitian Hamiltonians in

168 The squares of the wavefunctions of gapped phases, including those of the c

169 pological phase diagram, as well as explicit wavefunctions of Majorana zero modes.

170 hen interacting with magnetic materials, the wavefunctions of such electrons are inherently modified.

171 ose strength depends strongly on the orbital wavefunctions of the atoms.

172 scanning tunnelling microscopy to study the wavefunctions of the correlated phases in MATBG.

173 ned by the spin, valley, energy, and spatial wavefunctions of the Coulomb-bound electron and hole.

174 normally obscured in structures in which the wavefunctions of the electron and trapped hole spatially

175 tum model confirms the delocalization of the wavefunctions of the hybridized states and its effect on

176 the spatial properties of the excited-state wavefunctions of the whole bacteriochlorophyll complex.

177 properties of the delocalized excited-state wavefunctions of the whole pigment-protein complex.

178 re considered 'artificial atoms' because the wavefunctions of their charge carriers resemble those of

179 well as an analytic method to construct the wavefunctions of these flat bands, revealing their unive

180 Here we reconstruct the Bloch wavefunctions of two types of hole in gallium arsenide a

181 ey-Wiener theorem, the two-component photon "wavefunction" of this mode, while somewhat localized, is

182 e atomic-resolution complex image (exit-face wavefunction) of a small particle lying on a thin carbon

183 ductor quantum fluid to measure its coherent wavefunction on macroscopic scales.

184 sions and time, we show that imprinting such wavefunctions on electron pulses leads to shape-preservi

185 ill operate on overlapping electron and hole wavefunctions on the same polymer chain at their capture

186 tra reveal projections of the double-exciton wavefunctions onto a basis of direct products of single

187 quence of the delocalization of the electron wavefunction over the entire QD.

188 cial electronic properties, such as electron wavefunction overlap and band alignment.

189 als can be used to manipulate carrier-Mn(2+) wavefunction overlap and the sp-d exchange parameters th

190 By precisely controlling the wavefunction overlap between electrons in a semiconducto

191 est explained by a modulation of the exciton wavefunction overlap between the nanocrystal and the org

192 d relative to the ionized impurities and the wavefunction overlap with the ionized acceptors in the b

193 evel, itself a consequence of rising 1s core wavefunction overlap, and a preference for nonsymmorphic

194 tributed by the improvement in electron-hole wavefunction overlap, as compared to that of conventiona

195 actions, such as those requiring substantial wavefunction overlap, can alleviate these detrimental ef

196 systems, where contact interactions require wavefunction overlap, effective spin interactions on a l

197 tigation also reveals that the electron-hole wavefunction overlaps are remarkably large in the InGaN

198 re, our study reveals that the electron-hole wavefunction overlaps in the AlN/GaN DA structure can be

199 We show milliradian control over the wavefunction phase for the two-level system formed by th

200 tion of non-Abelian topological order in the wavefunction prepared in a quantum processor and demonst

201 The logic variables of the machine are not wavefunctions (qubits) but observables (i.e., operators)

202 nic waves in crystals(1) (now known as Bloch wavefunctions), rapid scattering processes have so far p

203 holographic method that is based on electron wavefunctions rather than free-space optical waves.

204 Exit wavefunction reconstruction is important in transmission

205 However, they exploit wavefunctions relying on crystal band symmetries, which

206 CI by a numerically exact compression of the wavefunction representation and reformulating the most c

207 ogous linear chains because their electronic wavefunctions resemble a quantum particle on a ring, lea

208 The VBT wavefunction reveals that the contributions of ionic str

209 cation in quantum information processing and wavefunction sculpting.

210 ample, which ensures that the pertinent spin wavefunctions segregate spatially on just one of the two

211 onic structure, and the high-dimensional DFT wavefunctions serve as building blocks for downstream ca

212 Such wavefunction shaping facilitates the use of multi-electr

213 tion states through exhaustive many-electron wavefunction simulations enabled by new theoretical meth

214 The significant wavefunction size of these highly-excited states (propor

215 [DLPNO-CCSD(T)] theory reveal triplet-state wavefunction spatial distributions consistent with elect

216 ps of the hydrogen and deuterium vibrational wavefunctions strongly impacts the magnitude of the KIE

217 erson insulators(1), where normally extended wavefunctions such as light fields or electronic Bloch w

218 alow tip heights, unveiling highly localized wavefunctions that are inaccessible by conventional scan

219 Quantum mechanics allows for many-particle wavefunctions that cannot be factorized into a product o

220 of the mechanisms based on delocalized hole wavefunctions that had been investigated, both experimen

221 ovel many-body quantum phases of matter with wavefunctions that reflect electronic correlation effect

222 despite the itinerant nature of the electron wavefunctions, the spin and valley polarization of indiv

223 observed SECs, which can be rationalized by wavefunction theoretical calculations.

224 rgy corrections based on embedded correlated wavefunction theory (in conjunction with density functio

225 ional theory molecular dynamics and embedded wavefunction theory calculations to elucidate the dehydr

226 ervention have traditionally made correlated wavefunction theory impractical to carry out for surface

227 -1,4-dicarboxylic acids were predicted using wavefunction theory methods.

228 tating the routine application of correlated wavefunction theory to complex problems involving the su

229 vel embedding approaches to apply correlated wavefunction theory to the surfaces of ionic materials w

230 cessitating accurate methods from correlated wavefunction theory.

231 ell as the spatially separated hole-particle wavefunctions, three of the five compounds exhibited the

232 e, we build upon state-of-the-art correlated wavefunctions to reliably reach 'gold standard' accuracy

233 ing in a modern electronic band theory where wavefunction topology can be obtained from momentum spac

234 endicular electric fields that push BLG hole wavefunctions towards WSe(2), indicating that proximity-

235 lian, are characterized by excitations whose wavefunctions undergo nontrivial statistical transformat

236 he interaction between particles so that the wavefunctions up to some finite range match that of an e

237 re the dynamical evolution of the two-photon wavefunction using time-resolved quantum state tomograph

238 Modulation of donor electron wavefunction via electric fields is vital to quantum com

239 excitons and their impact on the underlying wavefunction, we discover two new types of quantum phase

240 using only the scattered part of each atom's wavefunction, we precisely measure the difference of the

241 ploying a matrix-product-state ansatz of the wavefunction, we study the relaxation dynamics in this l

242 f the latent space representation of the DFT wavefunction, we use it for the supervised training of n

243 nstrate that knotting also occurs in quantum wavefunctions, where the tangled filaments are vortices

244 eveloped Fermionic neural network (FermiNet) wavefunction, which does not depend on a basis set.

245 graphic technique to manipulate the electron wavefunction, which gives free electrons an additional u

246 e are imprinted on the recoiling part of the wavefunction, which moves towards the second condensate.

247 es, and exact analytical expressions for the wavefunctions, which successfully describe quantum parti

248 f its electronic states in terms of envelope wavefunctions whose energy, time, and length scales are

249 re the density functional theory (DFT) based wavefunctions with and without spin-orbit coupling and c

250 iple carbon sublattices endow the electronic wavefunctions with pseudospin, a lattice analogue of the

251 sed matter that can be described by a single wavefunction, with a coherent quantum phase Phi.

252 ield leads to a displacement of the electron wavefunction within the quantum well, and because the el