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

By Per-Olov (Editor); Lowdin

ISBN-10: 0120348039

ISBN-13: 9780120348039

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J. Chem. Phys. 40,2774. MERRYMAN, P. M. (1959). Unpublished work. MOCCIA,R. (1962). J. Chem. Phys. 37, 910. MOCCIA,R. (1 964a). J . Chem. Phys. 40, 2164. MOCCIA,R. (1964b). J. Chem. Phys. 40, 2176. MOCCIA,R. J. Chem. Phys. 40,2186. MBLLER, C . , and PLESSET, M. S. (1934). Phys. Rev. 46, 618. MOSKOWITZ, J. W. (1965). J. Chem. Phys. 43, 60. MOSKOWITZ, J. , and HARRISON, M. C. (1965). J. Chem. Phys. 42, 1726. MULLIKEN, R. S. ( I 962). J. Chem. Phys. 36, 3428. NESBET, R. K. (1954). D. Dissertation, University of Cambridge (unpublished), NESBET, R.

Exptl. Calc. Exptl. 76 Tetr. Tetr. 68 Tetr. Tetr. 81 All results are in atomic units. 07 au. Also Moccia's energy for NH,+ is higher than that of Bishop whereas for CH, it is lower. As Bishop used the same program for both molecules, changing only the nuclear charge, and presumably Moccia did the same, it is hard to account for this disagreement. 48 David M. Bishop Joshi, continuing Moccia's work at the University of Chicago, has recently completed extensive calculations for NH, and NH. By writing a computer program specifically for XH,-type molecules with C3" symmetry, he has been able to include twenty-five symmetry-adapted basis functions with harmonics up to h.

Phys. 41, 3710. STEVENS, R. , and LIPSCOMB, W. N. (1965a). J. Chem. Phys. 42, 3666. STEVFNS, R. , and LIPSCOMB, W. N. (1965b). J . Chem. Phys. 42, 4302. :.. 24 R. K. Nerbet STEVENS, R. , PITZER, R. , and LIPSCOMB, W. N. (1963). J. Chem. Phys. 38, 550. TILFORD, S. , VANDERSLICE, J. , and WILKINSON, P. G. (1965). Can. J. Phys. 43,450. WAHL,A. C. (1964). J . Chem. Phys. 41, 2600. WAHL,A. , CADE,P. , and ROOTHAAN, C. C. J. (1964). J. Chem. Phys. 41,2578. , GOLD,L. , and KLEMPERER, W. (1962). J . Chem.

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