First Order Static Excitation Potential: Scheme for Excitation Energies and Transition Moments

Physics – Chemical Physics

Scientific paper

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15 pages revtex, 1 eps figure included, corrections in Eq. (A1) and Sec. II F

Scientific paper

10.1103/PhysRevA.57.4311

We present an approximation scheme for the calculation of the principal excitation energies and transition moments of finite many-body systems. The scheme is derived from a first order approximation to the self energy of a recently proposed extended particle-hole Green's function. A hermitian eigenvalue problem is encountered of the same size as the well-known Random Phase Approximation (RPA). We find that it yields a size consistent description of the excitation properties and removes an inconsistent treatment of the ground state correlation by the RPA. By presenting a hermitian eigenvalue problem the new scheme avoids the instabilities of the RPA and should be well suited for large scale numerical calculations. These and additional properties of the new approximation scheme are illuminated by a very simple exactly solvable model.

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