Calculation of one-electron properties from SCF Xα SW functions for H2O
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference18 articles.
1. Quantum theory of molecules and solids;Slater,1974
2. Scattered-Wave Theory of the Chemical Bond
3. SCF-X.alpha. scattered-wave studies on bonding and ionization potentials. 2. Higher valence state sulfur compounds
4. Xα scattered wave calculations of the ionisation energies of N3P3F6 and N4P4F8
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1. Optimum muffin‐tin sizes and corrected potential energy curves in the MSXα method. Application to the a1 and t2 curves for TiF4;The Journal of Chemical Physics;1990-08
2. Modified atoms in molecules;Journal of Molecular Structure: THEOCHEM;1988-09
3. An analysis of the electron density distribution in the free and polarized H2O molecule as calculated in the local density approximation;The Journal of Chemical Physics;1986-07
4. The calculation of ligand-field multiplet states from multiple-scattering X? wave functions;International Journal of Quantum Chemistry;1986-04
5. Calculation of photoelectron spectra of the trihalides of group v elements;Journal of Electron Spectroscopy and Related Phenomena;1984-01
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