The DOI matches its Crossref record; 8 of the 8 references it cites were found in a registry or an index.
Generalized discrete variable approximation in quantum mechanics
Abstract
The formal definition of the generalized discrete variable representation (DVR) for quantum mechanics and its connection to the usual variational basis representation (VBR) is given. Using the one dimensional Morse oscillator example, we compare the ‘‘Gaussian quadrature’’ DVR, more general DVR’s, and other ‘‘pointwise’’ representations such as the finite difference method and a Simpson’s rule quadrature. The DVR is shown to be accurate in itself, and an efficient representation for optimizing basis set parameters. Extensions to multidimensional problems are discussed.
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Cites
An analysis of the finite element method
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Self-citationCalculation of Matrix Elements for One-Dimensional Quantum-Mechanical Problems
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H3 +: A b i n i t i o calculation of the vibration spectrum
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Cited by
Manthe, U., Meyer, H.-D., & Cederbaum, L. S. (1992) · The Journal of Chemical Physics · doi:10.1063/1.463007 · Cited by 998
Real-space mesh techniques in density-functional theory
Beck, T. L. (2000) · Reviews of Modern Physics · doi:10.1103/revmodphys.72.1041 · Cited by 473
R12 methods in explicitly correlated molecular electronic structure theory
Klopper, W., Manby, F. R., Ten-No, S., & Valeev, E. F. (2006) · International Reviews in Physical Chemistry · doi:10.1080/01442350600799921 · Cited by 425
Numerical path integral techniques for long time dynamics of quantum dissipative systems
Makri, N. (1995) · Journal of Mathematical Physics · doi:10.1063/1.531046 · Cited by 377
Quantitative rescattering theory for high-order harmonic generation from molecules
Le, A.-T., Lucchese, R. R., Tonzani, S., Morishita, T., & Lin, C. D. (2009) · Physical Review A · doi:10.1103/physreva.80.013401 · Cited by 366
Metadata
- Authors
- Light, J. C., Hamilton, I. P., & Lill, J. V.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1985-02-01
- Volume
- 82
- Issue
- 3
- Pages
- 1400-1409
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2073125394
- Cited by
- 1,749
- References
- 8
- FWCI
- 5.01
- Type
- journal article
- Language
- en
- Open access
- closed
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