Parallel Density Functional Theory Energies using the Fourier Transform Coulomb Method

Journal of Physical Chemistry A

Volumn 108, Issue 15, 2004, Pages 3040-3047

  Baker, Jon ^a,b   Füsti Molnar, László ^b   Pulay, Peter ^b  

^a Parallel Quantum Solutions   (United States)

^b UNIVERSITY OF ARKANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EXCHANGE-CORRELATION ENERGY; FOURIER TRANSFORM COULOMB (FTC); MOLECULAR CHEMISTRY; QUANTUM CHEMISTRY;

ALGORITHMS; FOURIER TRANSFORMS; FREE ENERGY; INTEGRAL EQUATIONS; NUCLEAR MAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION;

PHYSICAL CHEMISTRY;

EID: 2342614935     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp036926l     Document Type: Article

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