Outline of a perturbation theory of the hydrogen molecule. — III

1964 ◽  
Vol 31 (6) ◽  
pp. 1258-1264 ◽  
Author(s):  
E. Corinaldesi
Keyword(s):  
Perturbation Theory ◽  
Hydrogen Molecule

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.

The molecular orbital theory of chemical valency XV. Illustrative calculations of the properties of polar bonds

1953 ◽  
Vol 218 (1134) ◽  
pp. 333-344 ◽  
Keyword(s):  
Perturbation Theory ◽  
Hydrogen Molecule ◽  
Mean Value ◽  
Binding Energies ◽  
Molecular Orbital Theory ◽  
Molecular Models ◽  
Orbital Theory ◽  
Repulsion Energy ◽  
Heats Of Reaction ◽  
The Mean

The perturbation theory developed in the preceding part of this series is used to calculate the properties of a set of molecular models which are formed by continuously varying the charges on the protons of the hydrogen molecule. The binding energies and heats of reaction of all such model molecules are calculated, and it is found that the thermochemical behaviour of the models reproduces several interesting features observed in the behaviour of real molecules. For these models the bonding energy of a molecule of type AB is usually greater than the mean value of this quantity for A 2 and B 2 , but this is due mainly to the reduction of the internuclear repulsion energy and not to the ionic-covalent resonance.

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