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Journal of Chemical Physics

Volumn 115, Issue 4, 2001, Pages 1619-1622

Triple excitation effects in coupled-cluster calculations of indirect spin-spin coupling constants

(2) Auer, A A a Gauss, J a

a JOHANNES GUTENBERG UNIVERSITY (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CARBON DIOXIDE; ELECTRON TRANSPORT PROPERTIES; GROUND STATE; HYDROGEN INORGANIC COMPOUNDS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; NITROGEN; PERTURBATION TECHNIQUES; RELAXATION PROCESSES; THERMAL EFFECTS; WATER;

COUPLED CLUSTER; COUPLED CLUSTER SINGLES DOUBLES TRIPLES; INDIRECT SPIN SPIN COUPLING CONSTANTS; ORBITAL RELAXATION; TRIPLE EXCITATION EFFECTS;

QUANTUM THEORY;

EID: 0035933968 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1386698 Document Type: Article

Times cited : (101)

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