Abstract
Localized orbital densities have been investigated in a series of ten-electron hydrides. It has been found that changes in the central atom nuclear charge cause systematic modifications in the localized electronic structure. The charge distributions of localized orbitals have been analyzed using their electric moments.
Similar content being viewed by others
References
E. Kapuy andE. Török: Quantum Theory of Atoms and Molecules (in Hungarian). Akadémiai Kiadó, Budapest, 1975.
H. Weinstein, R. Pauncz andM. Cohen, Adv. Mol. Phys.,7, 97, 1971.
W. England, L. S. Salmon andK. Ruedenberg, Fortschritte der chemischen Forschung,23, 31, 1971.
Interatomic Distances Suppl., No. 18, The Chem. Soc., London, 1965.
R. Daudel, C. Kozmutza andE. Kapuy, Chem. Phys. Letters,36, 555, 1975.
E. Kapuy, M. A. Robb, R. Daudel, C. Kozmutza andI. G. Csizmadia (in preparation).
R. Daudel, M. E. Stephens, C. Kozmutza, E. Kapuy, J. D., Goddard, andI. G. Csizmadia, Int. J. Quant. Chem., (accepted for publication).
E. Kapuy, C. Kozmutza andM. E. Stephens, Theoret. Chim. Acta, Berlin43, 175, 1976.
M. A. Robb, W. J. Haines andI. G. Csizmadia, J. Am. Chem. Soc.,95, 42, 1973.
A. Veillard, IBMOL-Version 4. Special IBM Technical Report, San José, California, 1968.
C. Edmiston andK. Ruedenberg, Rev. Mod. Phys.,35, 457 1963; J. Chem. Phys.,43, S97, 1965.
C. Edmiston andK. Ruedenberg, Quantum Theory of Atoms, Molecules and the Solid State, p. 263, 1966.
M. A. Robb andI. G. Csizmadia, Int. J. Quant. Chem.,4, 365, 1970.
W. von Niessen, J. Chem. Phys.,56, 4290, 1972.
W. von Niessen, Theoret. Chim. Acta (Berl.)29, 29, 1973.
P. Th. van Duijnen andD. B. Cook, Mol. Phys.,21, 475, 1971.
S. Wilson andJ. Gerratt, Mol. Phys.,30, 789, 1975.
A. Hinchliffe andP. R. Hughes, J. Mol. Structure,32, 79, 1976.
M. A. Robb, Ph. Thesis, University of Toronto, 1970.
M. E. Stephens, E. Kapuy andC. Kozmutza (in preparation).
L. Brillouin, Actualités sci. et ind., No. 71 (1933); No. 159 (1934).
T. H. Dunning, J. Chem. Phys.,53, 2823, 1970,55, 3958, 1971.
T. H. Dunning, R. W. Pitzer andS. Aung, J. Chem. Phys.,57, 5044, 1972.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Kapuy, E., Ozoróczy, Z. & Kozmutza, C. Characterization of charge distribution in terms of localized orbitals. Acta Physica 41, 125–136 (1976). https://doi.org/10.1007/BF03157512
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF03157512