Critical assessment of the performance of the semiempirical divide and conquer method for single point calculations and geometry optimizations of large chemical systems

Journal of Chemical Physics

Volumn 113, Issue 23, 2000, Pages 10512-10523

  Van Der Vaart, Arjan ^a   Suárez, Dimas ^a   Merz Jr , Kenneth M ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; MACROMOLECULES; PROTEINS;

MOLECULAR ORBITAL METHODS;

QUANTUM THEORY;

EID: 0343725680     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1323257     Document Type: Article

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