The non-adiabatic molecular Hamiltonian: A derivation using quasiparticle canonical transformations

@inbook{46162,
   author = {Hubač, Ivan},
   address = {Hardcover},
   booktitle = {Frontiers in Quantum Systems in Chemistry and Physics},
   keywords = {Many-Body Problem, QSCP, Quantum Mechanics, Theoretical Chemistry, Canonical Transformation, Molecular Hamiltonian},
   language = {eng},
   location = {Hardcover},
   isbn = {978-1-4020-8706-6},
   pages = {1-27},
   publisher = {Springer},
   title = {The non-adiabatic molecular Hamiltonian: A derivation using quasiparticle canonical transformations},
   year = {2008}
}

TY  - CHAP
ID  - 46162
AU  - Hubač, Ivan
PY  - 2008
TI  - The non-adiabatic molecular Hamiltonian: A derivation using quasiparticle canonical transformations
PB  - Springer
CY  - Hardcover
SN  - 9781402087066
KW  - Many-Body Problem, QSCP, Quantum Mechanics, Theoretical Chemistry, Canonical Transformation, Molecular Hamiltonian
N2  - The interaction between electrons and phonons in molecules is investigated using a formulation in which the total molecular Hamiltonian is subjected to two canonical transformations. The first of these transformations, which we term the normal coordinatetransformation, passes from a crude representation, which we term the clamped nuclei representation, in terms of basis functions defined with respect to some fixed geometry of the nuclei, R0, to a representation in terms of basis functions depending onR. This transformation mixes electronic and vibrational motions and leads to a simple formulae for adiabatic corrections. The second transformation, termed the momentum transformation, leads to a non-adiabatic (or diabatic) representation.
ER  - 

HUBAČ, Ivan. The non-adiabatic molecular Hamiltonian: A derivation using quasiparticle canonical transformations. In \textit{Frontiers in Quantum Systems in Chemistry and Physics}. Hardcover: Springer, 2008, s.~1-27. ISBN~978-1-4020-8706-6.