R. D. Levine (auth.), Joshua Jortner, Bernard Pullman (eds.)'s Tunneling: Proceedings of the Nineteenth Jerusalem Symposium PDF

By R. D. Levine (auth.), Joshua Jortner, Bernard Pullman (eds.)

ISBN-10: 9400947526

ISBN-13: 9789400947528

ISBN-10: 9401086117

ISBN-13: 9789401086110

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Read Online or Download Tunneling: Proceedings of the Nineteenth Jerusalem Symposium on Quantum Chemistry and Biochemistry Held in Jerusalem, Israel, May 5–8, 1986 PDF

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Additional resources for Tunneling: Proceedings of the Nineteenth Jerusalem Symposium on Quantum Chemistry and Biochemistry Held in Jerusalem, Israel, May 5–8, 1986

Sample text

Only. of fig. of SOC. of the 3T1 , 3T2 multiplets then shQuld be prQne tQ heavy scrambling by three addi tiQnal, nQn-cQmmuting interactiQns: the crystal field and Jahn-Teller effects, and SOC. olecules. for V043 in YV04 and Ba3(V04) 2 crystals [19J. of the luminescent state. of the iQn expected CONFORMATIONAL CHANGES ON EXCITATION OF TETROXO ANIONS IN CRYSTALS 43 from crystallographic data. The EPR results show that in each of the three systems a lowering of symmetry occurs on excitation. Apparently, the orbi tal degeneracy is lifted and we think the Jahn-Teller instability to be the major cause.

P~(~) ~a ~ --'T]- (8) R. B. GERBER ET AL. 30 1 f dm(~)= ~ 2 2 -1 d1] (9) 2 "b (~ -1] )p,,(1]) ~b d ( )= m 1] f (1_1]2)d~ ~ (~-1])p ~(~) a 2 2 ~b 1 c,,=2f~;c~=f~ (10) ~a p~(~) '1b p,,(1]) It can be shown that the eigenvalues E'mn of the Hamiltonian H' of (3) are within the SCF approximation given by the SCF energies: E'mn = E'm(n) = E'n(m). (11) The energies obtained by solving the SCF equations (5) depend on the parameter a, the focal half-distance parameter of the prolate spheroidal coordinate system (or rather half the distance between the two "centers" from which the H motion is measured.

P~(~) ~a ~ --'T]- (8) R. B. GERBER ET AL. 30 1 f dm(~)= ~ 2 2 -1 d1] (9) 2 "b (~ -1] )p,,(1]) ~b d ( )= m 1] f (1_1]2)d~ ~ (~-1])p ~(~) a 2 2 ~b 1 c,,=2f~;c~=f~ (10) ~a p~(~) '1b p,,(1]) It can be shown that the eigenvalues E'mn of the Hamiltonian H' of (3) are within the SCF approximation given by the SCF energies: E'mn = E'm(n) = E'n(m). (11) The energies obtained by solving the SCF equations (5) depend on the parameter a, the focal half-distance parameter of the prolate spheroidal coordinate system (or rather half the distance between the two "centers" from which the H motion is measured.

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Tunneling: Proceedings of the Nineteenth Jerusalem Symposium on Quantum Chemistry and Biochemistry Held in Jerusalem, Israel, May 5–8, 1986 by R. D. Levine (auth.), Joshua Jortner, Bernard Pullman (eds.)


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