论文信息 - Hermiticity of the superoperator Hamiltonian in propagator theory

Hermiticity of the superoperator Hamiltonian in propagator theory

Spurious terms are shown to appear in finite order perturbation theory treatment of the electron propagator in the so‐called equation of motion approach. These terms, which cause the superoperator Hamiltonian not to be Hermitian, are canceled when the reference state of the propagator is improved to the next higher order in Rayleigh–Schrodinger perturbation theory.

Y. Öhrn | Christoph Nehrkorn | G. D. Purvis

[1] L. T. Redmon,et al. Higher‐order decoupling of the electron propagator , 1975 .

[2] P. Jørgensen. Molecular and Atomic Applications of Time-Dependent Hartree-Fock Theory , 1975 .

[3] L. Cederbaum. Non‐single‐particle excitations in finite Fermi systems , 1975 .

[4] Y. Öhrn,et al. Electron propagator calculations of the photoelectron spectrum for open shell molecules with applications to the oxygen molecule , 1975 .

[5] Y. Öhrn,et al. Atomic and molecular electronic spectra and properties from the electron propagator , 1974 .

[6] B. T. Pickup,et al. Direct calculation of ionization energies , 1973 .

[7] O. Goscinski,et al. Moment-conserving decoupling of green functions via pade approximants , 1970 .

[8] J. Linderberg,et al. Improved decoupling procedure for green functions , 1967 .

[9] Per-Olov Löwdin,et al. STUDIES IN PERTURBATION THEORY. X. LOWER BOUNDS TO ENERGY EIGENVALUES IN PERTURBATION-THEORY GROUND STATE , 1964 .