Size-extensive vibrational self-consistent field method.
about
Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications.First-principles anharmonic quantum calculations for peptide spectroscopy: VSCF calculations and comparison with experiments.Stochastic many-body perturbation theory for anharmonic molecular vibrations.Size-extensive vibrational self-consistent field methods with anharmonic geometry corrections.Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces.Second-order many-body perturbation expansions of vibrational Dyson self-energies.Exploring the relationship between vibrational mode locality and coupling using constrained optimization.Higher-order diagrammatic vibrational coupled-cluster theory.The adaptive hierarchical expansion of the kinetic energy operator.Vibrational quasi-degenerate perturbation theory with optimized coordinates: applications to ethylene and trans-1,3-butadiene.Optimized coordinates for anharmonic vibrational structure theories.Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates.Selected new developments in vibrational structure theory: potential construction and vibrational wave function calculations.
P2860
Q38107114-108ADAF9-8940-4DCB-8E50-A48742845613Q40205865-B4706F4B-6BF0-443F-B5C6-0AAFB396463FQ41382895-BC292BF6-6508-4CAD-9891-3D18D8794F36Q47298749-1A430F4E-3E1E-4DC7-B74B-6633AC526F62Q47414894-62B469B6-2088-4748-9CCB-FEE7B642AC28Q48941280-58501EA7-F8FB-449D-8B52-F1599B0BA608Q50676170-0CECC915-35C8-4B9E-B33F-24B51510F60BQ50796115-8DB01B21-E655-40E3-B746-E24B01BF21E7Q50906103-3B1EABA0-9FB8-41AE-A25F-3A901B938D0FQ51105716-E1635B62-A560-461E-9527-CF90C91DCECBQ51293464-CC7A8B22-6D98-4CDD-87BB-8226391E0091Q53188149-D3EDDF98-1D7B-4253-BDA8-4CFE47ACB204Q53790027-8050BEAB-553D-49F9-BC91-597FE78B8A06
P2860
Size-extensive vibrational self-consistent field method.
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年学术文章
@wuu
2011年学术文章
@zh
2011年学术文章
@zh-cn
2011年学术文章
@zh-hans
2011年学术文章
@zh-my
2011年学术文章
@zh-sg
2011年學術文章
@yue
2011年學術文章
@zh-hant
name
Size-extensive vibrational self-consistent field method.
@en
Size-extensive vibrational self-consistent field method.
@nl
type
label
Size-extensive vibrational self-consistent field method.
@en
Size-extensive vibrational self-consistent field method.
@nl
prefLabel
Size-extensive vibrational self-consistent field method.
@en
Size-extensive vibrational self-consistent field method.
@nl
P2860
P356
P1476
Size-extensive vibrational self-consistent field method.
@en
P2093
Murat Keçeli
P2860
P304
P356
10.1063/1.3644895
P407
P577
2011-10-01T00:00:00Z