Published July 22, 2004
| Version v1
Journal article
Quantum dynamics calculations using symmetrized, orthogonal Weyl-Heisenberg wavelets with a phase space truncation scheme. II. Construction and optimization
Creators
- 1. Department of Chemistry and Biochemistry, and Department of Physics, Texas Tech University, Lubbock, Texas 79409-1061 (United States)
Description
In this paper, we extend and elaborate upon a wavelet method first presented in a previous publication [B. Poirier, J. Theo. Comput. Chem. 2, 65 (2003)]. In particular, we focus on construction and optimization of the wavelet functions, from theoretical and numerical viewpoints, and also examine their localization properties. The wavelets used are modified Wilson-Daubechies wavelets, which in conjunction with a simple phase space truncation scheme, enable one to solve the multidimensional Schroedinger equation. This approach is ideally suited to rovibrational spectroscopy applications, but can be used in any context where differential equations are involved
Additional details
Identifiers
- DOI
- 10.1063/1.1767511;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 121
- Journal Issue
- 4
- Journal Page Range
- p. 1690-1703
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36002384
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- FUNCTIONS; OPTIMIZATION; PHASE SPACE; QUANTUM MECHANICS; ROTATIONAL STATES; SCHROEDINGER EQUATION; SPECTROSCOPY; VIBRATIONAL STATES
- Descriptors DEC
- DIFFERENTIAL EQUATIONS; ENERGY LEVELS; EQUATIONS; EXCITED STATES; MATHEMATICAL SPACE; MECHANICS; PARTIAL DIFFERENTIAL EQUATIONS; SPACE; WAVE EQUATIONS
Optional Information
- Notes
- (c) 2004 American Institute of Physics.