Accurate Calculation of the Vibrational Force Constant of the Hydrogen Molecule by Variation–Perturbation Theory

1972 ◽  
Vol 56 (1) ◽  
pp. 4-7 ◽  
Author(s):  
S. Y. Chang
Keyword(s):  
Perturbation Theory ◽  
Force Constant ◽  
Hydrogen Molecule ◽  
Accurate Calculation

scholarly journals Rovibrational energy levels of the hydrogen molecule through nonadiabatic perturbation theory

2019 ◽  
Vol 100 (3) ◽  
Author(s):  
Jacek Komasa ◽  
Mariusz Puchalski ◽  
Paweł Czachorowski ◽  
Grzegorz Łach ◽  
Krzysztof Pachucki
Keyword(s):  
Perturbation Theory ◽  
Hydrogen Molecule ◽  
Energy Levels

APPROXIMATE MOLECULAR ORBITALS: IV. THE 3dδg AND 4fδu STATES OF H2+

1967 ◽  
Vol 45 (8) ◽  
pp. 2533-2542 ◽  
Author(s):  
M. Cohen ◽  
R. P. McEachran ◽  
Sheila D. McPhee
Keyword(s):  
Perturbation Theory ◽  
Variational Methods ◽  
Excellent Agreement ◽  
Hydrogen Molecule ◽  
Wave Functions ◽  
Simple Criterion ◽  
Wide Range ◽  
Approximate Wave ◽  
Exact Calculations ◽  
Schrödinger Perturbation

Properties of the lowest even and odd δ states of the hydrogen molecule–ion have been calculated using approximate wave functions. These were derived using a combination of Rayleigh–Schrödinger perturbation theory and variational methods, which have been applied previously to calculate the corresponding wave functions of the lowest σ and π states. Our total molecular energies are in excellent agreement with the recent exact calculations of Hunter and Pritchard (1967). A simple criterion is suggested for judging the accuracy of the approximate orbitals, which indicates that all the molecular properties calculated will be accurate over a wide range of internuclear separations.

Dipole polarizability of the hydrogen molecule: a single-center calculation

1970 ◽  
Vol 48 (17) ◽  
pp. 1991-1995 ◽  
Author(s):  
M. Cohen ◽  
B. W. Southern
Keyword(s):  
Perturbation Theory ◽  
Hydrogen Molecule ◽  
Polarizability Tensor ◽  
Dipole Polarizability ◽  
Single Center

The leading terms in a single-center expansion of the static dipole polarizability tensor of the hydrogen molecule has been calculated by means of perturbation theory.

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