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

Journal of Chemical Physics

Volumn 129, Issue 6, 2008, Pages

  Wang, Fan ^a   Gauss, Jürgen ^a   Van Wüllen, Christoph ^b  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b Rheinland Pfälzische Technische Universität Kaiserslautern Landau   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ARSENIC COMPOUNDS; CHEMICAL BONDS; MOLECULAR ORBITALS; MOLECULAR PHYSICS; ORBITS; QUANTUM CHEMISTRY; SECURITY OF DATA; SHELLS (STRUCTURES); SPIN DYNAMICS; SURFACE STRUCTURE;

BOND LENGTHS; CC METHODS; CCSD(T); CLOSED SHELLS; COMPUTATIONAL EFFORTS; COUPLED-CLUSTER; COUPLED-CLUSTER THEORY; HARMONIC FREQUENCIES; HARTREE-FOCK; HIGH-ACCURACY; NONRELATIVISTIC; ORBITALS; PERTURBATIVE TREATMENTS; RELATIVISTIC EFFECTIVE CORE POTENTIALS; SELF-CONSISTENT FIELD; SPIN-ORBIT COUPLING; TRIPLE EXCITATIONS; TWO-COMPONENT; TWO-ELECTRON INTEGRALS;

CHLORINE COMPOUNDS;

EID: 49749121013     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2968136     Document Type: Article

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