Analytical potential curve from Non-Born-Oppenheimer wave function: Application to hydrogen molecular ion

2016 ◽  
Author(s):  
Hiroyuki Nakashima ◽  
Hiroshi Nakatsuji
Keyword(s):  
Wave Function ◽  
Potential Curve ◽  
Hydrogen Molecular Ion ◽  
Molecular Ion ◽  
Analytical Potential

Momentum distribution in molecular systems

1941 ◽  
Vol 37 (4) ◽  
pp. 397-405 ◽  
Author(s):  
W. E. Duncanson
Keyword(s):  
Wave Function ◽  
Binding Energy ◽  
Momentum Distribution ◽  
Wave Functions ◽  
Appreciable Change ◽  
Hydrogen Molecular Ion ◽  
Molecular Ion ◽  
Molecular Systems ◽  
Similar Work ◽  
The One

The momentum distribution for the electron in the hydrogen molecular ion has been calculated for various wave functions, including the one used by James with which he obtained such a good value for the binding energy. The method adopted for this particular wave function is outlined and the results show appreciable change with improvement in the wave function. In conclusion there are discussed the implications of the present calculations on similar work on the H2 molecule.

Calculation of Zeff for low-energy positron scattering by the hydrogen molecular ion

1996 ◽  
Vol 74 (7-8) ◽  
pp. 501-504 ◽  
Author(s):  
E. A. G. Armour ◽  
J. M. Carr
Keyword(s):  
Wave Function ◽  
Phase Shift ◽  
Variational Method ◽  
Partial Wave ◽  
Born Approximation ◽  
Low Energy ◽  
Positron Scattering ◽  
Hydrogen Molecular Ion ◽  
Molecular Ion ◽  
Coulomb Phase

The Kohn variational method has recently been applied to the calculation of the addition to the Coulomb phase shift, in positron scattering, by the hydrogen molecular ion below the positronium-formation threshold at 9.45 eV. In this paper the wave function obtained for the lowest spheroidal partial wave of [Formula: see text] symmetry is used to calculate the contribution to Zeff from this symmetry. The results are significantly larger than those obtained using the Coulomb–Born approximation.

wave functions

1965 ◽  
Vol 61 (1) ◽  
pp. 207-209 ◽  
Author(s):  
A. R. Holt
Keyword(s):  
Wave Function ◽  
Spherical Harmonics ◽  
Energy Levels ◽  
Wave Functions ◽  
Hydrogen Molecular Ion ◽  
Molecular Ion ◽  
Polar Representation ◽  
Image Position

Cohen and Coulson (4) and Cohen (5) have obtained wave-functions and energy levels for the hydrogen molecular ion in a spherical polar representation. They expanded the wave-function in terms of spherical harmonics, and their expansion may be written aswhere S = 2k for even states, and S = 2k + 1 for odd states.

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