High order finite difference algorithms for solving the Schrodinger equation in molecular dynamics. II. Periodic variables

Journal of Chemical Physics

Volumn 113, Issue 23, 2000, Pages 10429-10437

  Guantes, Raul ^a,b   Farantos, Stavros C ^a,c  

^a INSTITUTE OF ELECTRONIC STRUCTURE AND LASER   (Greece)

^b INSTITUTO DE MATEMÁTICAS Y FÍSICA FUNDAMENTAL   (Spain)

^c UNIVERSITY OF CRETE   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CHEBYSHEV APPROXIMATION; FINITE DIFFERENCE METHOD; FOURIER TRANSFORMS; FUNCTIONS; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS; POLYNOMIALS; SPECTROSCOPIC ANALYSIS; SULFUR DIOXIDE;

DISCRETE VARIABLE REPRESENTATIONS (DVR); HAMILTONIAN; SCHRODINGER EQUATIONS; WAVE FUNCTIONS;

MOLECULAR DYNAMICS;

EID: 0034511472     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1324004     Document Type: Article

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