Spin-restricted Brueckner orbitals for coupled-cluster wavefunctions

1997 ◽  
Vol 107 (23) ◽  
pp. 9980-9984 ◽  
Author(s):  
T. Daniel Crawford ◽  
Timothy J. Lee ◽  
Nicholas C. Handy ◽  
Henry F. Schaefer
Keyword(s):  
Coupled Cluster ◽  
Brueckner Orbitals

Molecular properties from coupled-cluster Brueckner orbitals

1999 ◽  
Vol 315 (3-4) ◽  
pp. 248-256 ◽  
Author(s):  
Andreas Heßelmann ◽  
Georg Jansen
Keyword(s):  
Molecular Properties ◽  
Coupled Cluster ◽  
Brueckner Orbitals

Energies and analytic gradients for a coupled-cluster doubles model using variational Brueckner orbitals: Application to symmetry breaking in O4+

1998 ◽  
Vol 109 (11) ◽  
pp. 4171-4181 ◽  
Author(s):  
C. David Sherrill ◽  
Anna I. Krylov ◽  
Edward F. C. Byrd ◽  
Martin Head-Gordon
Keyword(s):  
Symmetry Breaking ◽  
Coupled Cluster ◽  
Brueckner Orbitals

Use of Brueckner orbitals in second-order approximate coupled-cluster with singles and doubles (CC2) model

2011 ◽  
Vol 506 (4-6) ◽  
pp. 276-281 ◽  
Author(s):  
Yoshinobu Akinaga ◽  
Yukio Kawashima ◽  
Seiichiro Ten-no
Keyword(s):  
Second Order ◽  
Coupled Cluster ◽  
Brueckner Orbitals

The relativistic coupled-cluster method: transition energies of bismuth and eka-bismuth

1998 ◽  
Vol 94 (1) ◽  
pp. 181-187 ◽  
Author(s):  
EPHRAIM ELIAV ◽  
UZI KALDOR ◽  
YASUYUKI ISHIKAWA
Keyword(s):  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Transition Energies

Adiabatic electron affinities of PF5 and SF6: a coupled-cluster study

1998 ◽  
Vol 94 (1) ◽  
pp. 121-125 ◽  
Author(s):  
Gennady GUTSEV ◽  
RODNEY BARTLETT
Keyword(s):  
Coupled Cluster ◽  
Electron Affinities
Sign in / Sign up

Export Citation Format

Share Document