Effect of time-dependent basis functions and their superposition error on atom-centered density matrix propagation (ADMP): Connections to wavelet theory of multiresolution analysis

Journal of Chemical Physics

Volumn 121, Issue 11, 2004, Pages 5061-5070

  Iyengar, Srinivasan S ^a   Frisch, Michael J ^b  

^a INDIANA UNIVERSITY   (United States)

^b GAUSSIAN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE THEORY; GAUSSIAN BASIS FUNCTIONS; MOLECULAR ORBITALS; NUCLEAR REPULSION THEORY;

COMPUTER SIMULATION; DIFFERENTIAL EQUATIONS; FOURIER TRANSFORMS; LAGRANGE MULTIPLIERS; MATRIX ALGEBRA; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

ELECTRONIC STRUCTURE;

EID: 5044232796     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1780157     Document Type: Article

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