8 research outputs found
Development of algebraic techniques for the atomic open-shell MBPT(3)
The atomic third-order open-shell many-body perturbation theory is developed.
Special attention is paid to the generation and algebraic analysis of terms of
the wave operator and the effective Hamiltonian as well. Making use of
occupation-number representation and intermediate normalization, the
third-order deviations are worked out by employing a computational software
program that embodies the generalized Bloch equation. We prove that in the most
general case, the terms of effective interaction operator on the proposed
complete model space are generated by not more than eight types of the -body
() parts of the wave operator. To compose the effective Hamiltonian
matrix elements handily, the operators are written in irreducible tensor form.
We present the reduction scheme in a versatile disposition form, thus it is
suited for the coupled-cluster approach
The transformation of irreducible tensor operators under spherical functions
The irreducible tensor operators and their tensor products employing Racah
algebra are studied. Transformation procedure of the coordinate system
operators act on are introduced. The rotation matrices and their
parametrization by the spherical coordinates of vector in the fixed and rotated
coordinate systems are determined. A new way of calculation of the irreducible
coupled tensor product matrix elements is suggested. As an example, the
proposed technique is applied for the matrix element construction for two
electrons in a field of a fixed nucleus.Comment: To appear in Int. J. Theor. Phy
The peak model for finite rank supersingular perturbations
We review the peak model for finite rank supersingular perturbations of a lower semibounded self-adjoint operator by comparing the main aspects with the A-model. The exposition utilizes the techniques based on the notion of boundary triples