The ab initio model potential method with the spin-free relativistic scheme by eliminating small components Hamiltonian

Journal of Chemical Physics

Volumn 114, Issue 14, 2001, Pages 6000-6006

  Motegi, Kyosuke ^a   Nakajima, Takahito ^a   Hirao, Kimihiko ^a   Seijo, Luis ^b  

^a UNIVERSITY OF TOKYO   (Japan)

^b INSTITUTO NICOLÁS CABRERA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; ELECTRON ENERGY LEVELS; GROUND STATE; HAMILTONIANS; HYDRIDES; MATHEMATICAL MODELS; NUMERICAL ANALYSIS; PERTURBATION TECHNIQUES; RELATIVITY; SPECTROSCOPIC ANALYSIS;

AB INITIO MODEL POTENTIAL METHOD; CLUSTER WITH SINGLES AND DOUBLES METHOD; SPECTROSCOPIC CONSTANTS; SPIN FREE RELATIVISTIC SCHEME;

MOLECULAR DYNAMICS;

EID: 0035826456     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1356735     Document Type: Article

References (48)

1. Chemical application of atomic and molecular electronic potentials
2. Molecular spectra and molecular structure constants of diatomic molecules