eQq measurements in the X, 1g, O+g and B state of I2: A test of the electronic molecular eigenfunctions

1980 ◽  
Vol 73 (6) ◽  
pp. 2641-2650 ◽  
Author(s):  
R. Bacis ◽  
M. Broyer ◽  
S. Churassy ◽  
J. Vergès ◽  
J. Vigué
Keyword(s):  
Molecular Eigenfunctions

Equivalent functions: hybrids and Wannier functions

1958 ◽  
Vol 54 (2) ◽  
pp. 197-206 ◽  
Author(s):  
S. L. Altmann ◽  
C. A. Coulson
Keyword(s):  
Theoretical Method ◽  
Single Atom ◽  
Quantum Mechanical ◽  
Linear Combinations ◽  
Wannier Functions ◽  
Molecular Systems ◽  
Group Theoretical Method ◽  
Lennard Jones ◽  
Symmetry Properties ◽  
Molecular Eigenfunctions

In the last two decades a family of closely related functions have been introduced for the solution of quantum-mechanical problems. In dealing with atomic and molecular systems Pauling (12) introduced in 1928 linear combinations of the eigenfunctions of a single atom, which were called hybrids. These have specific symmetry properties which were utilized by Kimball (6) to construct a group-theoretical method for their determination. More recently Lennard-Jones (8) defined linear combinations of molecular eigenfunctions which he called equivalent orbitals. These are formally similar to the hybrids and Lennard-Jones took over the Kimball method for their determination.

On the perturbation of molecular eigenfunctions by a magnetic field

Physica ◽  
1974 ◽  
Vol 74 (3) ◽  
pp. 625-631 ◽  
Author(s):  
E.N∅rby Svendsen ◽  
H.F. Hameka
Keyword(s):  
Magnetic Field ◽  
Molecular Eigenfunctions

Resonance charge transfer between H(1 s ) and H + calculated by means of an approximation based on an expansion in molecular eigenfunctions

1961 ◽  
Vol 264 (1319) ◽  
pp. 540-546 ◽  
Keyword(s):  
Experimental Data ◽  
Charge Transfer ◽  
Momentum Transfer ◽  
Excited States ◽  
Cross Section ◽  
Transfer Effects ◽  
State Approximation ◽  
The Cross ◽  
Resonance Charge ◽  
Molecular Eigenfunctions

The cross-section for the process H + + H(1 s ) → H(1 s ) + H + has been calculated for proton energies between 1 and 50 keV by means of the perturbed stationary-state approximation, with allowance for momentum transfer effects. Allowance for momentum transfer is found to decrease the cross-section by 5% at 2 keV, by 16% at 5 keV and by 45% at 20 keV. For energies below about 20 keV, the calculations are within 5% of those of McCarroll (1961), who uses an approximation based on atomic eigenfunctions. The results are in satisfactory accord with the experimental data of Fite, Stebbings, Hummer & Brackmann (1960) in the lower part of the energy range covered (where capture into excited states is unimportant).

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