Analytic Wave Functions. I. Atoms with1s,2s, and2pElectrons

1958 ◽  
Vol 111 (4) ◽  
pp. 1111-1113 ◽  
Author(s):  
R. G. Breene
Keyword(s):  
Wave Functions ◽  
Analytic Wave

Analytic Wave Functions. IV. Inclusion of Correlation

1962 ◽  
Vol 128 (5) ◽  
pp. 2190-2194
Author(s):  
R. G. Breene
Keyword(s):  
Wave Functions ◽  
Analytic Wave

The interaction of normal and metastable helium atoms

1952 ◽  
Vol 213 (1114) ◽  
pp. 327-349 ◽  
Keyword(s):  
Binding Energy ◽  
Dipole Interaction ◽  
Wave Functions ◽  
Positive Maximum ◽  
Metastable Helium ◽  
Helium Atoms ◽  
First Order ◽  
Singlet States ◽  
Energy Of Interaction ◽  
Analytic Wave

The energy of interaction of a normal helium atom and one excited to the first triplet or singlet metastable state is calculated over a range of nuclear separations from a 0 to 12 a 0 . The Heitler-London method is followed, with inclusion of all non-orthogonality integrals, and using analytic wave functions. Because of identity of the nuclei, g and u states of interaction occur, the energy of the u state having a minimum at about 2·1 a 0 , and a positive maximum of 0·29 and 0·26 eV (for triplet and singlet states respectively) at about 4 a 0 ; the g state is entirely repulsive. Comparison is made with experimental evidence for the binding energy of normal and metastable (triplet) atoms. An estimate is made of the second-order dipole-dipole interaction for large separations, and it seems certain that the first-order interaction dominates at least to 12 a 0 . Methods of calculating the necessary integrals are discussed in an appendix.

APPROXIMATE MOLECULAR ORBITALS: II. THE 2pπu AND 3dπg STATES OF H2+

1966 ◽  
Vol 44 (11) ◽  
pp. 2827-2838 ◽  
Author(s):  
M. Cohen ◽  
Brenda H. Dorrell ◽  
R. P. McEachran
Keyword(s):  
Molecular Orbitals ◽  
Wave Functions ◽  
Analytic Wave

Simple analytic wave functions for the lowest even and odd π states of H2+ have been obtained by the procedures described in the first paper of this series. Their accuracy is somewhat higher than that of the lowest σ states treated earlier.

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