Massively parallel implementations of coupled-cluster methods for electron spin resonance spectra. I. Isotropic hyperfine coupling tensors in large radicals

Journal of Chemical Physics

Volumn 139, Issue 17, 2013, Pages

  Verma, Prakash ^a   Perera, Ajith ^a,b   Morales, Jorge A ^a  

^a TEXAS TECH UNIVERSITY   (United States)

^b University of Florida ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL DEVELOPMENT; COUPLED-CLUSTER METHODS; ELECTRON CORRELATION EFFECT; ELECTRON SPIN RESONANCE SPECTRA; ISOTROPIC HYPERFINE COUPLING CONSTANT; ISOTROPIC HYPERFINE COUPLINGS; MANY BODY PERTURBATION THEORY; SPIN-DENSITY DISTRIBUTION;

COMPUTER ARCHITECTURE; FORECASTING; ITERATIVE METHODS; NUMERICAL METHODS; PROGRAM PROCESSORS; TENSORS; ZINC;

ELECTRON SPIN RESONANCE SPECTROSCOPY;

EID: 84903369202     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4827298     Document Type: Article

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