Atom-centered density matrix propagation (ADMP): Generalizations using Bohmian mechanics

Journal of Physical Chemistry A

Volumn 107, Issue 37, 2003, Pages 7269-7277

  Iyengar, Srinivasan S ^a,c   Schlegel, H Bernhard ^b   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

^b WAYNE STATE UNIVERSITY   (United States)

^c INDIANA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DEGREES OF FREEDOM (MECHANICS); ELECTRONIC STRUCTURE; ERRORS; ESTIMATION; QUANTUM THEORY;

ATOM CENTERED DENSITY MATRIX PROPAGATION; BOHMIAN MECHANICS; SEMICLASSICAL APPROXIMATIONS;

MOLECULAR DYNAMICS;

EID: 0141570738     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034633m     Document Type: Article

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