Diagrammatic perturbation theory: a comparison of numerical methods with basis set expansion techniques for a model problem
- 28 February 1985
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 18 (4) , 577-587
- https://doi.org/10.1088/0022-3700/18/4/006
Abstract
A comparison has been made of numerical methods with basis set expansion techniques in the evaluation of the sum-over-states expressions which arise in the diagrammatic perturbation expansion in second and higher orders. The model problem of a ground-state hydrogenic atom with charge Z perturbed by the potential -Z'/r is used. The energy corresponding to each diagrammatic component can be evaluated explicitly for this mode. Universal systematic sequences of even-tempered basis sets of exponential-type functions and Gaussian-type functions are employed and the convergence of the individual components of the energy expansion with increasing size of basis set is examined.Keywords
This publication has 11 references indexed in Scilit:
- Universal systematic sequence of even-tempered exponential-type functions in electronic structure studiesThe Journal of Chemical Physics, 1982
- Systematic sequences of even-tempered Gaussian primitives in electron correlation studies using many-body perturbation theoryTheoretical Chemistry Accounts, 1980
- Universal systematic sequence of even-tempered Gaussian primitive functions in electronic correlation studiesTheoretical Chemistry Accounts, 1980
- Universal basis sets and transferability of integralsInternational Journal of Quantum Chemistry, 1978
- Model perturbation theoretic calculations with finite continuum basis setsThe Journal of Chemical Physics, 1977
- Algebraic approximation in many-body perturbation theoryPhysical Review A, 1976
- Applications of Many‐Body Diagram Techniques in Atomic PhysicsAdvances in Chemical Physics, 1969
- Application of Rayleigh-Schrödinger Perturbation Theory to the Hydrogen AtomThe Journal of Chemical Physics, 1962
- Application of the Rayleigh-Schrödinger Perturbation Theory to the Hydrogen AtomPhysical Review B, 1956
- The exact calculation of long-range forces between atoms by perturbation theoryProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1955