Electron Propagator Theory and Application
FLORIDA UNIV GAINESVILLE QUANTUM THEORY PROJECT
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The electron propagator theory is presented with somewhat of a historical perspective and the working equations are developed with the aim to take advantage of molecular point group symmetry. A new electron propagator code, the vectorized electron propagator program VEP, is introduced without full details about its structure and capabilities such details are being published elsewhere. Applications to the UV photoelectron spectra of some donor-acceptor complexes of borane with carbon monoxide and water are presented at the level of second-order theory as an illustration of the theory and the VEP code.
- Atomic and Molecular Physics and Spectroscopy
- Quantum Theory and Relativity