A variational definition of electrostatic potential derived charges

Journal of Physical Chemistry B

Volumn 108, Issue 23, 2004, Pages 7963-7968

  Laio, Alessandro ^a   Gervasio, Francesco Luigi ^a   Vande Vondele, Joost ^b   Sulpizi, Marialore ^c   Rothlisberger, Ursula ^c  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HAMILTONIANS; LINEAR EQUATIONS; MATHEMATICAL MODELS; OPTIMIZATION; POLARIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; ROBUSTNESS (CONTROL SYSTEMS);

ARTIFACTS; COULOMB INTERACTION; QUANTUM (QM) SYSTEM; SUPERPOSITION;

ELECTROSTATICS;

EID: 3042554016     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0496405     Document Type: Article

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