DVR3D: a program suite for the calculation of rotation–vibration spectra of triatomic molecules
- 1 November 2004
- journal article
- Published by Elsevier BV in Computer Physics Communications
- Vol. 163 (2), 85-116
- https://doi.org/10.1016/j.cpc.2003.10.003
Abstract
No abstract availableKeywords
This publication has 49 references indexed in Scilit:
- The contribution of unknown weak water vapor lines to the absorption of solar radiationGeophysical Research Letters, 1999
- Ab initio calculation of the rotation–vibration energy levels of H3+ and its isotopomers to spectroscopic accuracyThe Journal of Chemical Physics, 1999
- DVR3D: for the fully pointwise calculation of ro-vibrational spectra of triatomic moleculesComputer Physics Communications, 1995
- Potential energy surface of the H+3 ground state in the neighborhood of the minimum with microhartree accuracy and vibrational frequencies derived from itThe Journal of Chemical Physics, 1994
- Ab initio calculation of a global potential, vibrational energies, and wave functions for HCN/HNC, and a simulation of the ÖX̃ emission spectrumThe Journal of Chemical Physics, 1993
- DVR1D: programs for mixed pointwise/basis set calculation of ro-vibrational spectraComputer Physics Communications, 1993
- Triatom: programs for the calculation of ro-vibrational spectra of triatomic moleculesComputer Physics Communications, 1993
- Coordinate ordering in the discrete variable representationComputer Physics Communications, 1993
- An effective computational approach to the calculation of the vibration-rotation spectra of triatomic moleculesComputer Physics Communications, 1988
- Highly rotationally excited states of floppy molecules: H2D+withJ⩽ 20Molecular Physics, 1986