(Q57402260)

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Properties of nonadiabatic couplings and the generalized Born–Oppenheimer approximation

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Properties of nonadiabatic couplings and the generalized Born–Oppenheimer approximation (English)

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Donald G. Truhlar

3

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Brian K. Kendrick

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1

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C. Alden Mead

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2

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publication date

March 2002

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published in

Chemical Physics

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volume

277

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issue

1

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page(s)

31-41

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cites work

Zur Quantentheorie der Molekeln

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The geometric phase in molecular systems

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Intersection of potential energy surfaces in polyatomic molecules

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On the determination of Born–Oppenheimer nuclear motion wave functions including complications due to conical intersections and identical nuclei

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Quantal Phase Factors Accompanying Adiabatic Changes

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Resonant Charge Exchange in Atomic Collisions

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Conditions for the definition of a strictly diabatic electronic basis for molecular systems

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On the nonexistence of strictly diabatic molecular electronic bases

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Accurate first-derivative nonadiabatic couplings for the H3 system

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A new diabatic representation of the coupled potential energy surfaces for Na(3p 2P)+H2→Na(3s 2S)+H2 or NaH+H

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Erratum: A new diabatic representation of the coupled potential energy surfaces for Na(3p2P)+H2→Na(3s2S)+H2 or NaH+H [J. Chem. Phys. 96, 2895 (1992)]

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Analytic potential energy surfaces and their couplings for the electronically nonadiabatic chemical processes Na(3p)+H2→Na(3s)+H2 and Na(3p)+H2→NaH+H

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On the form of the adiabatic and diabatic representation and the validity of the adiabatic approximation for X3 Jahn–Teller systems

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Born-oppenheimer revisited

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DOI

10.1016/S0301-0104(02)00281-1

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(Q57402260)

Properties of nonadiabatic couplings and the generalized Born–Oppenheimer approximation

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