Ewald mesh method for quantum mechanical calculations

Journal of Chemical Physics

Volumn 136, Issue 11, 2012, Pages

  Chang, Chun Min ^a   Shao, Yihan ^a   Kong, Jing ^a  

^a Q Chem Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPACT DENSITY; COMPUTATIONAL TIME; CONTINUOUS FAST MULTIPOLE METHODS; HIGH ENERGY; LINEAR SCALING; LONG-RANGE COULOMB INTERACTION; LONG-RANGE POTENTIAL; LOW ENERGIES; MOLECULAR MECHANICS SIMULATION; POINT CHARGE; QUANTUM MECHANICAL; QUANTUM-MECHANICAL CALCULATION; SHORT RANGE INTERACTIONS;

PHYSICAL CHEMISTRY; PHYSICS;

QUANTUM THEORY;

ARTICLE; DIFFUSION; QUANTUM THEORY;

DIFFUSION; QUANTUM THEORY;

EID: 84859252497     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3694829     Document Type: Article

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