A grid-free DFT implementation of non-local functionals and analytical energy derivatives

Journal of Molecular Structure: THEOCHEM

Volumn 388, Issue 1-3, 1996, Pages 277-284

  Zheng, Yu Cheng ^a   Almlöf, Jan E ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

Analytical energy gradient; Density functional therory; Grid free DFT; Non local density functionals

Indexed keywords

EID: 0042539013     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0166-1280(96)80040-6     Document Type: Article

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