Ionization energies of water from PNO-CI calculations

International Journal of Quantum Chemistry - Tập 5 Số S5 - Trang 341-348
Wilfried Meyer1
1Institut für Theoretische Physikalische Chemie, Universitäet Stuttgart, Germany

Tóm tắt

Từ khóa


Tài liệu tham khảo

Clementi, 1967, J. Chem. Phys., 47, 4485, 10.1063/1.1701657

Bagus, 1965, Phys. Rev., 139, A619, 10.1103/PhysRev.139.A619

Siegbahn, 1969, ESCA Applied to Free Molecules

Hosteny, 1971, Chem. Phys. Letters, 7, 325, 10.1016/0009-2614(70)80173-7

Neumann, 1968, J. Chem. Phys., 49, 2056, 10.1063/1.1670367

W. Meyer

Nesbet, 1968, Phys. Rev., 175, 2, 10.1103/PhysRev.175.2

Advan. Chem. Phys. 14 1969

Sinanoglŭ, 1969, Advan. Chem. Phys., 14

Edmiston, 1966, J. Chem. Phys., 45, 1833, 10.1063/1.1727841

1968, J. Chem. Phys., 49, 192, 10.1063/1.1669809

Ahlrichs, 1968, J. Chem. Phys., 48, 1819, 10.1063/1.1668917

Jungen, 1970, Theoret. Chim. Acta, 17, 339, 10.1007/BF00528569

P. S. Bagus Proceedings of the Seminar on Selected Topics in Molecular Physics

Liu, 1971, Int. J. Quantum Chem., 5S, 123

Kutzelnigg, 1964, J. Chem. Phys., 40, 3640, 10.1063/1.1725065

Bender, 1969, Phys. Rev., 138, 23, 10.1103/PhysRev.183.23

Hollister, 1966, J. Am. Chem. Soc., 88, 13, 10.1021/ja00953a003

Clementi, 1962, Phys. Rev., 127, 1618, 10.1103/PhysRev.127.1618

Brundle, 1968, Proc. Roy. Soc. (London), A307, 27, 10.1098/rspa.1968.0172

Pulay, 1969, Mol. Phys., 17, 197, 10.1080/00268976900100941

1970, Mol. Phys., 18, 473, 10.1080/00268977000100541

Cade, 1967, J. Chem. Phys., 47, 614, 10.1063/1.1711938

B. B. de Darwent Bond Dissociation Energies 1970

Herzberg, 1945, Infrared and Raman Spectra

Pekeris, 1958, Phys. Rev., 112, 1649, 10.1103/PhysRev.112.1649