Adiabatic vibrational excitons: Amide I states in α-helices as an example

Chemical Physics Letters

Volumn 408, Issue 4-6, 2005, Pages 360-365

  Tsivlin, Dmitry ^a   May, Volkhard ^a  

^a HUMBOLDT UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ELECTRIC EXCITATION; ELECTROSTATICS; MOLECULAR STRUCTURE; POLYPEPTIDES; QUANTUM THEORY; SOLITONS; VIBRATION MEASUREMENT;

EXCITATION ENERGY; HARTREE METHODS; HELIX VIBRATIONS; VIBRATIONAL EXCITONS;

EXCITONS;

EID: 19744365528     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.04.049     Document Type: Article

References (14)

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11. D. Tsivlin, V. May, J. Chem. Phys. (submitted)
12. n. Their dependence on m indicates that they refer to the mth vibrational wave function in the expansion equation (4). Moreover, the ζ label that they belong to the ζth Hartree product in the multi-configurational ansatz. So, this method appears as a modification of the standard basis-set expansion scheme by using time-dependent expansion functions which may be adapted to the actual state and thus can be drastically reduced in their overall number
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