Local unitary transformation method for large-scale two-component relativistic calculations: Case for a one-electron Dirac Hamiltonian

Journal of Chemical Physics

Volumn 136, Issue 24, 2012, Pages

  Seino, Junji ^a   Nakai, Hiromi ^a,b  

^a WASEDA UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COSTS; CONVENTIONAL METHODS; DIATOMIC MOLECULES; DIRAC HAMILTONIAN; HYDROGEN HALIDES; LOCAL UNITARY; PREFACTORS; RELATIVISTIC CALCULATIONS; RELATIVISTIC EFFECTS; SYSTEM SIZE; TOTAL ENERGY; TWO-COMPONENT;

HYDROGEN;

HIGH ENERGY PHYSICS;

EID: 84863534780     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4729463     Document Type: Article

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