Return to search

Wavefunctions, energy levels and dipole transitions of hydrogen-bonded systems

A linear AH....A model, representing hydrogen bonding, which incorporates a symmetrical double minimum in the potential energy, and interaction between the symmetric and antisymmetric motion, is examined in detail. The asymmetric system A-H....B is also briefly examined. Using harmonic oscillator functions as a basis for expansion, solutions of the two dimensional wave equation are obtained. Three tests for the convergence of the matrix expansion are satisfied. A set of potential parameters describing a typical hydrogen bonded system is chosen. A method for obtaining the interaction constant is described.

Identiferoai:union.ndltd.org:bl.uk/oai:ethos.bl.uk:622962
Date January 1967
CreatorsSingh, Thakur Ranjit
PublisherImperial College London
Source SetsEthos UK
Detected LanguageEnglish
TypeElectronic Thesis or Dissertation
Sourcehttp://hdl.handle.net/10044/1/17567

Page generated in 0.0021 seconds