By Per-Olov (Editor); Lowdin

ISBN-10: 0120348039

ISBN-13: 9780120348039

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Chem. Phys. 39, 11. RICHARDSON, J. W. (1961). J . Chem. Phys. 35, 1829. C. C. J. (1951). Rev. Mod. Phys. 23,69. ROOTHAAN, ROOTHAAN, C . C. , and BAGUS,P. S. (1963). In “Methods in Computational Physics” (B. Alder, S. Fernbach, and M. ), Vol. 2, pp. 47-94. Academic Press, New York. RUEDENBERG, K. (1951). Chem. Phys. 19, 1459. SHARMA, R. D. (1965). J. Chem. Phys. 43,220. SLATER, J. C. (1930). Phys. Rev. 36, 57. STEVENS, R. , and LIPSCOMB, W. N. (1964a). J. Chem. Phys. 40, 2238. STEVENS, R. , and LIPSCOMB, W.

NESBET, R. K. (1965a). J. Chem. Phys. 43, S30. NESBET, R. K. (1965b). J. Chem. Phys. 43, 4403. PENG,H. (1941). Proc. Roy. A178,499. PITZER,R. , KERN,C. , and LIPSCOMB, W. N. (1962). J . Chem. Phys. 37,267. RANSIL, B. J. (1960). Rev. Mod. Phys. 32, 245. REEVES, C. , and FLETCHER, R. (I 965). J. Chem. Phys. 42, 4073. REEVES, C. , and HARRISON, M. C. (1963). J. Chem. Phys. 39, 11. RICHARDSON, J. W. (1961). J . Chem. Phys. 35, 1829. C. C. J. (1951). Rev. Mod. Phys. 23,69. ROOTHAAN, ROOTHAAN, C . C.

25 28 32 37 37 40 48 48 50 51 53 54 . 55 . 56 . 5 7 1. Introduction In principle the problem of finding nonrelativistic molecular wave functions for a fixed nuclear framework was solved in the 1920’s, when Schrodinger formulated his, now famous, differential equation: X Y o= w,YI,. (1) The zero subscripts denote exact solutions, 2 is the quantum mechanical Hamiltonian operator for the system to be investigated, and Yo is its electronic wave function in the stationary state of energy Wo.

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Advances in quantum chemistry. / Volume 3 by Per-Olov (Editor); Lowdin


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