State-of-the-art density matrix renormalization group and coupled cluster theory studies of the nitrogen binding curve

Journal of Chemical Physics

Volumn 121, Issue 13, 2004, Pages 6110-6116

  Chan, Garnet Kin Lic ^a,c   Kállay, Mihály ^b   Gauss, Jürgen ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

^c Department of Molecular Biology and Genetics   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COUPLED CLUSTER (CC) THEORY; DENSITY MATRIX RENORMALIZATION GROUP (DMRG); QUADRUPOLE EXCITATIONS; WAVE FUNCTIONS;

ALGORITHMS; APPROXIMATION THEORY; ELECTRIC EXCITATION; ELECTRONIC STRUCTURE; ERROR ANALYSIS; POTENTIAL ENERGY; PROBLEM SOLVING;

CHEMICAL BONDS;

EID: 7044249341     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1783212     Document Type: Article

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