Premium
Dynamic nonlinear Jahn–Teller effect of the type E ⊗ ϵ
Author(s) -
Singh Jai
Publication year - 1981
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560190515
Subject(s) - hamiltonian (control theory) , nonlinear system , ground state , energy operator , jahn–teller effect , coupling (piping) , hamiltonian system , operator (biology) , physics , quantum mechanics , mathematics , statistical physics , mathematical physics , energy (signal processing) , chemistry , materials science , mathematical optimization , ion , biochemistry , repressor , transcription factor , metallurgy , gene
By applying the projection operator method it is shown that the complicated Hamiltonian of a E ⊗ ϵ JT system with nonlinear coupling coefficients can be written in terms of two Hamiltonians which are simple to handle and transform according to irreducible representations E , A 1 , and A 2 of C 3 v point group. A variational approach is then used to calculate the ground state energy, using the Hamiltonian that transforms according to E , as an explicit function of the linear and nonlinear coupling parameters. The energies calculated in the strong coupling limit are finally compared with the corresponding previously calculated energies.