Chemical physics without the Born-Oppenheimer approximation: The molecular coupled-cluster method
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Time-dependent multiconfiguration theory for describing molecular dynamics in diatomic-like molecules.Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method.Including nuclear quantum effects into highly correlated electronic structure calculations of weakly bound systems.Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional.A correlated-polaron electronic propagator: open electronic dynamics beyond the Born-Oppenheimer approximation.On the quantum theory of molecules.Rigorous non-Born-Oppenheimer theory: combination of explicitly correlated Gaussian method and nuclear orbital plus molecular orbital theory.The geometric (H/D) isotope effect in porphycene: grid-based Born-Oppenheimer vibrational wavefunctions vs. multi-component molecular orbital theory.
P2860
Q33515347-5F085033-9C29-447D-B2C0-2FA3D5434849Q36070449-52C77DF5-2468-4E1B-B7FC-2D74E2FE3259Q39418659-A1AB79AC-9373-4311-8758-90CEAB7FA31AQ47821454-770A8B0D-3205-48B0-BD1C-4AEA763B0667Q50769917-D8E579C3-4AE7-4C9B-BDE9-8D98EB3537B9Q51286710-EB73A8E2-315B-432F-8047-C5F74AFA66D1Q51547466-C26CA14E-BE1C-44E5-AC91-CF574B92E634Q52939292-0B043E9B-BC34-4EEF-A1FC-745915BB0218
P2860
Chemical physics without the Born-Oppenheimer approximation: The molecular coupled-cluster method
description
1987 nî lūn-bûn
@nan
1987 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
1987 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
1987年の論文
@ja
1987年論文
@yue
1987年論文
@zh-hant
1987年論文
@zh-hk
1987年論文
@zh-mo
1987年論文
@zh-tw
1987年论文
@wuu
name
Chemical physics without the B ...... lecular coupled-cluster method
@ast
Chemical physics without the B ...... lecular coupled-cluster method
@en
Chemical physics without the B ...... lecular coupled-cluster method
@nl
type
label
Chemical physics without the B ...... lecular coupled-cluster method
@ast
Chemical physics without the B ...... lecular coupled-cluster method
@en
Chemical physics without the B ...... lecular coupled-cluster method
@nl
altLabel
Chemical physics without the B ...... ecular coupled-cluster method.
@en
prefLabel
Chemical physics without the B ...... lecular coupled-cluster method
@ast
Chemical physics without the B ...... lecular coupled-cluster method
@en
Chemical physics without the B ...... lecular coupled-cluster method
@nl
P2860
P356
P1433
P1476
Chemical physics without the B ...... lecular coupled-cluster method
@en
Chemical physics without the B ...... ecular coupled-cluster method.
@en
P2093
Hendrik J. Monkhorst
P2860
P304
P356
10.1103/PHYSREVA.36.1544
P407
P577
1987-08-01T00:00:00Z