The variational method for the calculation of RO-vibrational energy levels

Computer Physics Reports

Volumn 5, Issue 3, 1986, Pages 117-171

  Carter, S ^a   Handy, N C ^b  

^a UNIVERSITY OF READING   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

MATHEMATICAL TECHNIQUES - VARIATIONAL TECHNIQUES; VIBRATIONS - MATHEMATICAL MODELS;

ENERGY LEVELS; POLYATOMIC SYSTEMS; ROTATIONAL-VIBRATIONAL ENERGY;

MOLECULES;

EID: 46149127934     PISSN: 01677977     EISSN: None     Source Type: Journal    
DOI: 10.1016/0167-7977(86)90006-7     Document Type: Article

References (134)

1. Excited stretching vibrations of water: the quantum mechanical picture
2. A local mode model for tetrahedral molecules
3. Potential models and local mode vibrational eigenvalue calculations for acetylene
4. A comment on a recent proposal for the calculation of vibrational energies in the general triatomic molecule
5. New alternative to the Dunham potential for diatomic molecules
6. Anharmonic Potential Functions of Simple Molecules. I. Direct Numerical Diagonalization of Vibrational Hamiltonian Matrix and Its Application to CO and HCl
7. On the use of Morse eigenfunctions for the variational calculation of bound states of diatomic molecules
8. Simplification of the molecular vibration-rotation hamiltonian
9. The vibration-rotation hamiltonian of linear molecules
10. Anharmonic force constant calculations
11. A theoretical study of the rotation-vibration energy levels and dipole moment functions of CCN+, CNC+, and C3
12. Vibration-inversion-rotation spectra of ammonia. A vibration-inversion-rotation Hamiltonian for NH3
13. The adiabatic approach toe+2e-in the hyperspherical coordinates
14. Analytical potentials for triatomic molecules from spectroscopic data
15. On the relationship of normal modes to local modes in molecular vibrations
16. Vibrational frequencies from anharmonicab initio/empirical potential energy functions IV. Diacetylene: frequencies and infrared intensities of stretching vibrations
17. Estimation of Anharmonic Potential Constants. II. Bent XY2 Molecules
18. Considerations on the Rotation—Vibration of Triatomic Molecules
19. Zum quantenmechanischen Dreik�rperproblem
20. The Renner effect in a bent triatomic molecule executing a large amplitude bending vibration
21. A variational method for the calculation of vibrational levels of any triatomic molecule
22. A variational method for the calculation of rovibrational levels of any triatomic molecule
23. A variational method for the calculation of ro-vibronic levels of any orbitally degenerate (Renner-Teller) triatomic molecule
24. The vibrational levels of C2H2using an internal coordinate vibrational hamiltonian
25. Quantum vibrational chaos in the ArHCl van der Waals molecule
26. Erratum: Quantum dynamics of the van der Waals molecule (N2)2: An ab initio treatment [J. Chem. Phys. 77, 5664 (1982)]
27. On the rovibrational levels of the H3+and H2D+molecules
28. Calculated ro-vibrational spectrum of H2D+
29. A calculation of the rovibrational spectra of the H3/+, H2D+and D2H+molecules
30. Atoms in Molecules and Crystals
31. Semi-empirical potential energy surfaces for the reactions H + HCl → H2 + Cl and H' + HCl → H' Cl + H
32. Anisotropic intermolecular forces
33. Anisotropic intermolecular forces
34. Predissociation of weak-anisotropy Van der Waals molecules. Theory, approximations and practical predictions
35. Calculation of Gauss quadrature rules
36. An efficient procedure for the calculation of the vibrational energy levels of any triatomic molecule
37. A variational method for the calculation of rovibrational levels of any triatomic molecule
38. Ab initiotreatment of the Renner-Teller effect for theX2B1andA2A1electronic states of NH2
39. Use of the vibronic CI method in accurate calculations of the Renner-Teller effect
40. Orbital angular momentum in triatomic molecules
41. The Renner effect in a bent triatomic molecule using the adiabatic approach
42. A potential energy surface for the ground state of CH2
43. Analytical potentials for triatomic molecules
44. A variational description of the vibrational states of triatomic molecules using numerical wavefunctions