Molecular wave functions for lithium
- 28 July 1943
- journal article
- Published by The Royal Society in Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
- Vol. 181 (987) , 378-386
- https://doi.org/10.1098/rspa.1943.0015
Abstract
The method of molecular orbitals has been applied to a discussion of the ground state of Li 2 . Both the simple product-type functions and the determinantal functions have been used. The final energy value has an error of about 1·3 %. The changes in screening constants in passing from atomic to molecular states is discussed, and empirical rules deduced from this and other work. Provided that all the molecular orbitals used are mutually orthogonal, there is not as much electron exchange between inner and valence electrons as has often been supposed. The importance of this orthogonality in discussion of exchange is emphasized.This publication has 12 references indexed in Scilit:
- Two-centre integrals occurring in the theory of molecular structureMathematical Proceedings of the Cambridge Philosophical Society, 1942
- Diamagnetic susceptibility of methaneProceedings of the Physical Society, 1942
- Intensities of Electronic Transitions in Molecular Spectra IX. Calculations on the Long Wave-Length Halogen SpectraThe Journal of Chemical Physics, 1940
- Self-consistent field for molecular hydrogenMathematical Proceedings of the Cambridge Philosophical Society, 1938
- The energy and screening constants of the hydrogen moleculeTransactions of the Faraday Society, 1937
- The electronic structure of methaneTransactions of the Faraday Society, 1937
- Wave Functions forHeliumPhysical Review B, 1936
- Wave Mechanical Treatment of the Molecule Li2+The Journal of Chemical Physics, 1935
- Electronic Structures of Polyatomic Molecules and Valence. II. General ConsiderationsPhysical Review B, 1932
- Valence Forces in Lithium and BerylliumPhysical Review B, 1931