On the use of an extended nucleus in Dirac-Fock Gaussian basis set calculations

International Journal of Quantum Chemistry - Tập 32 Số S21 - Trang 523-532 - 1987
Yasuyuki Ishikawa1, Harry M. Quiney2
1Department of Chemistry and the Chemical Physics Program, University of Puerto Rico, Rio Piedras, Puerto Rico 00931
2Theoretical Chemistry Department, University of Oxford, I South Parks Road, Oxford OX1 3TG, England

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Mark, 1980, Chem. Phys. Lett., 71, 507, 10.1016/0009-2614(80)80214-4

Kim, 1967, Phys. Rev., 154, 17, 10.1103/PhysRev.154.17

Ishikawa, 1983, Chem. Phys. Lett., 101, 111, 10.1016/0009-2614(83)80314-5

1984, Chem. Phys. Lett., 105, 189, 10.1016/0009-2614(84)85647-X

Lee, 1982, J. Chem. Phys., 76, 735, 10.1063/1.442680

in Current Aspects of Quantum Chemistry, Ed. (Elsevier, Amsterdam, 1982), p. 219.

Aerts, 1985, Chem. Phys. Lett., 113, 165, 10.1016/0009-2614(85)80936-2

Ishikawa, 1985, Chem. Phys. Lett., 117, 444, 10.1016/0009-2614(85)80280-3

and Phys. Scr., (in press).

Ishikawa, 1985, Chem. Phys. Lett., 121, 130, 10.1016/0009-2614(85)87169-4

L�wdin, 1964, J. Mol. Spectrosc., 14, 131, 10.1016/0022-2852(64)90108-0

Aerts, 1986, Chem. Phys. Lett., 125, 83, 10.1016/0009-2614(86)85160-0

Aerts, 1985, Int. J. Quantum Chem., Quantum Chem, Symp., 19, 267

Ishikawa, 1985, Int. J. Quantum Chem., Quantum Chem. Symp., 19, 285

Relativistic Electron Theory (Wiley, New York, 1961).

Desclaux, 1975, Comp. Phys. Commun., 9, 31, 10.1016/0010-4655(75)90054-5

Grant, 1971, Adv. Phys., 19, 747, 10.1080/00018737000101191

Bohr, 1950, Phys. Rev., 77, 94, 10.1103/PhysRev.77.94

Werner, 1958, Phys. Rev., 109, 126, 10.1103/PhysRev.109.126

Simas, 1984, J. Chem. Phys., 81, 5219, 10.1063/1.447475

Farazdel, 1985, Int. J. Quantum Chem., Quantum Chem. Symp., 19, 61

and Adv. At. Mol. Phys. (in press).