scholarly journals RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN

2017 ◽  
Vol 213 ◽  
pp. 136-154
Author(s):  
B.K. Mani ◽  
S. Chattopadhyay ◽  
D. Angom
Keyword(s):  
Closed Shell ◽  
Coupled Cluster ◽  
Cluster Program

Coupled cluster energy derivatives. Analytic Hessian for the closed‐shell coupled cluster singles and doubles wave function: Theory and applications

1990 ◽  
Vol 92 (8) ◽  
pp. 4924-4940 ◽  
Author(s):  
Henrik Koch ◽  
Hans Jo/rgen Aa. Jensen ◽  
Poul Jo/rgensen ◽  
Trygve Helgaker ◽  
Gustavo E. Scuseria ◽  
...  
Keyword(s):  
Wave Function ◽  
Function Theory ◽  
Closed Shell ◽  
Coupled Cluster ◽  
Energy Derivatives ◽  
Cluster Energy

A closed-shell coupled-cluster treatment of the Breit–Pauli first-order relativistic energy correction

2004 ◽  
Vol 121 (14) ◽  
pp. 6591-6598 ◽  
Author(s):  
Sonia Coriani ◽  
Trygve Helgaker ◽  
Poul Jørgensen ◽  
Wim Klopper
Keyword(s):  
Closed Shell ◽  
Coupled Cluster ◽  
Relativistic Energy ◽  
First Order ◽  
Energy Correction

Symmetry exploitation in closed-shell coupled-cluster theory with spin-orbit coupling

2011 ◽  
Vol 135 (3) ◽  
pp. 034115 ◽  
Author(s):  
Zheyan Tu ◽  
Dong-Dong Yang ◽  
Fan Wang ◽  
Jingwei Guo
Keyword(s):  
Closed Shell ◽  
Orbit Coupling ◽  
Coupled Cluster ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupled Cluster Theory ◽  
Cluster Theory

On certain correspondences among various coupled-cluster theories for closed-shell systems

Pramana ◽  
1982 ◽  
Vol 18 (3) ◽  
pp. 261-270 ◽  
Author(s):  
Sourav Pal ◽  
M Durga Prasad ◽  
Debashis Mukherjee
Keyword(s):  
Closed Shell ◽  
Coupled Cluster

Closed-shell coupled-cluster theory with spin-orbit coupling

2008 ◽  
Vol 129 (6) ◽  
pp. 064113 ◽  
Author(s):  
Fan Wang ◽  
Jürgen Gauss ◽  
Christoph van Wüllen
Keyword(s):  
Closed Shell ◽  
Orbit Coupling ◽  
Coupled Cluster ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupled Cluster Theory ◽  
Cluster Theory
Sign in / Sign up

Export Citation Format

Share Document