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Volumn 116, Issue 22, 2002, Pages 9602-9610

Flexible constraints: An adiabatic treatment of quantum degrees of freedom, with application to the flexible and polarizable mobile charge densities in harmonic oscillators model for water

(3) Hess, Berk a Saint Martin, Humberto b Berendsen, Herman J C a

a UNIVERSITY OF GRONINGEN (Netherlands)

b INSTITUTO DE CIENCIAS FÍSICAS (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; CONSTRAINT THEORY; DEGREES OF FREEDOM (MECHANICS); GROUND STATE; HARMONIC ANALYSIS; MATHEMATICAL MODELS; OSCILLATORS (MECHANICAL); POLARIZATION; WATER;

QUANTUM OSCILLATORS;

MOLECULAR DYNAMICS;

EID: 0037042624 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1478056 Document Type: Article

Times cited : (32)

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