Relativistic and electron correlation effects for molecules of heavy elements: Ab initio fully relativistic coupled-cluster calculations for PbH 4

International Journal of Quantum Chemistry

Volumn 99, Issue 6, 2004, Pages 940-949

  Malli, Gulzari L ^a   Siegert, Martin ^a   Turner, David P ^b  

^a SIMON FRASER UNIVERSITY   (Canada)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

Fully relativistic coupled cluster calculations; Molecules of heavy elements; PbH 4; Relativistic and electron correlation effects

Indexed keywords

FULLY RELATIVISTIC COUPLED-CLUSTER CALCULATIONS; MOLECULES OF HEAVY ELEMENTS; PLUMBANE (PBH4); RELATIVISTIC AND CORRELATION EFFECTS;

ATOMIZATION; BENCHMARKING; CALCULATIONS; CORRELATION METHODS; ELECTRONIC STRUCTURE; ELECTRONS; HAMILTONIANS; KINETIC ENERGY; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; QUANTUM THEORY;

LEAD COMPOUNDS;

EID: 4544296499     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20142     Document Type: Conference Paper

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