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International Journal of Quantum Chemistry

Volumn 114, Issue 17, 2014, Pages 1108-1127

Analytic energy derivatives in relativistic quantum chemistry

(3) Cheng, Lan a Stopkowicz, Stella b Gauss, Jürgen c

a UNIVERSITY OF TEXAS AT AUSTIN (United States)

b UNIVERSITY OF OSLO (Norway)

c JOHANNES GUTENBERG UNIVERSITY (Germany)

Author keywords

analytic energy derivatives; heavy elements; molecular properties; relativistic quantum chemistry

Indexed keywords

CHEMICAL ANALYSIS; CHEMICAL ELEMENTS; COST EFFECTIVENESS; COSTS; PERTURBATION TECHNIQUES; QUANTUM THEORY;

COST-EFFECTIVE APPROACH; ELECTRON CORRELATION CALCULATIONS; ENERGY DERIVATIVES; HEAVY ELEMENTS; MOLECULAR PROPERTIES; QUANTUM CHEMICAL APPROACH; QUANTUM-CHEMICAL METHODS; RELATIVISTIC QUANTUM CHEMISTRIES;

QUANTUM CHEMISTRY;

EID: 84904464741 PISSN: 00207608 EISSN: 1097461X Source Type: Journal
DOI: 10.1002/qua.24636 Document Type: Review

Times cited : (39)

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