Next Article in Journal / Special Issue
New Transcorrelated Method Improving the Feasibility of Explicitly Correlated Calculations
Previous Article in Journal / Special Issue
Special Issue on Recent Advances in Coupled Cluster Theory
Article Menu

Export Article

Open AccessArticle
Int. J. Mol. Sci. 2002, 3(5), 447-458; doi:10.3390/i3050447

Time Dependent Coupled Cluster Approach to Resonance Raman Excitation Profiles from General Anharmonic Surfaces

School of Chemistry, University of Hyderabad, Hyderabad - 500 046, India
Received: 15 November 2001 / Accepted: 3 January 2002 / Published: 31 May 2002
(This article belongs to the Special Issue Recent Advances in Coupled Cluster Theory)
View Full-Text   |   Download PDF [66 KB, uploaded 19 June 2014]   |  

Abstract

A time dependent coupled cluster approach to the calculation of Resonance Raman excitation profiles on general anharmonic surfaces is presented. The vibrational wave functions on the ground electronic surface are obtained by the coupled cluster method (CCM). It is shown that the propagation of the vibrational ground state on the upper surface is equivalent to propagation of the vacuum state by an effective hamiltonian generated by the similarity transformation of the vibrational hamiltonian of that surface by the CCM wave operator of the lower surface up to a normalization constant. This time propagation is carried out by the time-dependent coupled cluster method in a time dependent frame. Numerical studies are presented to asses the validity of the approach. View Full-Text
Keywords: Time dependent coupled cluster method; resonance Raman excitation profiles Time dependent coupled cluster method; resonance Raman excitation profiles
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

Prasad, M.D. Time Dependent Coupled Cluster Approach to Resonance Raman Excitation Profiles from General Anharmonic Surfaces. Int. J. Mol. Sci. 2002, 3, 447-458.

Show more citation formats Show less citations formats

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top