Franck-Condon transitions in a system with large-amplitude anharmonic vibrations coupled to a harmonic-oscillator bath: Application to the C1sphotoelectron spectrum of ethanol

2006 ◽  
Vol 74 (4) ◽  
Author(s):  
M. Abu-samha ◽  
K. J. Børve
2010 ◽  
Vol 25 (21n23) ◽  
pp. 1796-1799 ◽  
Author(s):  
NOBUO HINOHARA ◽  
KOICHI SATO ◽  
TAKASHI NAKATSUKASA ◽  
MASAYUKI MATSUO

We develop an efficient microscopic method of deriving the five-dimensional quadrupole collective Hamiltonian on the basis of the adiabatic self-consistent collective coordinate method. We illustrate its usefulness by applying it to the oblate-prolate shape coexistence/mixing phenomena and anharmonic vibrations in Se isotopes.


1975 ◽  
Vol 30 (12) ◽  
pp. 1730-1741 ◽  
Author(s):  
Jürgen Brickmann

Abstract A formalism is presented to obtain approximate analytic expressions for the eigenstates and eigenvalues of a quantum double oscillator (QDO). The matrix elements of a large class of operators with respect to states of different double oscillators result as finite sums of explicit functions of the respective parameters. Matrix elements between states of a harmonic oscillator and a double oscillator are also determined. The analytic expressions were used to calculate Franck-Condon factors for electronic transitions including double oscillator anharmonicities.


1971 ◽  
Vol 26 (6) ◽  
pp. 943-946 ◽  
Author(s):  
W . Wltschel

Abstract Twocentre harmonic oscillator overlap integrals (Franck-Condon-integrals) are calculated in a simple way for twodimensional oscillators of different frequencies. Second quantization and operator technique are applied. It is further shown that transition and kinetic energy integrals can be derived in the same representation.


1971 ◽  
Vol 26 (6) ◽  
pp. 940-942
Author(s):  
W . Wltschel

Abstract Twocentre harmonic oscillator overlap integrals, arbitrary transition integrals and collision energy etchange integrals for equal and different frequencies of the oscillators are contained in a generalized Franck-Condon-integral which is solved by operator methods in the second quantization representation.


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