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Landau–Zener theory for avoided crossings applied to the gallium–silane reactions
Author(s) -
PachecoSánchez J. H.,
Castillo S.,
LunaGarcía H.,
Novaro O.
Publication year - 2007
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.21487
Subject(s) - silane , gallium , excited state , moment of inertia , chemistry , atomic physics , zener diode , atom (system on chip) , potential energy , physics , computational chemistry , quantum mechanics , voltage , organic chemistry , resistor , computer science , embedded system
Abstract Landau–Zener Theory for avoided crossings is applied here to obtain the transition probabilities (TPs) for the lowest Gallium–Silane excited states. Considering that silane orbits the gallium atom when the insertion angle θ is used as the reaction parameter, the translational energy is for this purpose irrelevant. The nonadiabatic TP depends on the angular velocity; hence, the inertia moment is more pertinent than the mass. Avoided crossings of the two lower A′ potential energy surfaces of Ga( 2 P, 2 S) + SiH 4 interactions have to be taken into account. The TP of the excited system HGaSiH 3 leading from one potential energy surface to another through an avoided crossing is then calculated. TPs for gallium–silane interaction are predicted using this novel approach. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007

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