Method of successive approximations for many - electron wave functions
- 1 April 1974
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 9 (4) , 1555-1563
- https://doi.org/10.1103/physreva.9.1555
Abstract
Assuming that there exists a correspondence between the methods of the superposition of configurations and linked-cluster perturbation-theory expansions, a method of successive approximations was used to generate the coefficients of the superposition-of-configurations expansion and the correlation energy of a many-electron wave function. The algorithm was applied to the ground state of Be. Using an excited , , orbital basis set calculated in the potential, and estimating the truncation error of the remaining pair-correlation energies of the partial-wave expansion, a correlation energy of -0.09312 a.u. was obtained.
Keywords
This publication has 34 references indexed in Scilit:
- Combined Configuration-Interaction—Hylleraas-Type Wave-Function Study of the Ground State of the Beryllium AtomPhysical Review A, 1971
- Correlation Energy of the Ground State of CPhysical Review A, 1970
- Electronic Wave Functions for Atoms. IV. Ground State of NePhysical Review A, 1970
- Nature of the Configuration-Interaction Method inAb InitioCalculations. I. Ne Ground StatePhysical Review A, 1970
- Pair Correlations and the Electronic Structure of NeonPhysical Review A, 1970
- Electronic Wave Functions for Atoms. I. Ground State of BePhysical Review B, 1968
- Approximate Wave Functions for Atomic BePhysical Review B, 1960
- Derivation of the Brueckner many-body theoryProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1957
- Many-Body Problem for Strongly Interacting Particles. II. Linked Cluster ExpansionPhysical Review B, 1955
- Two-Body Forces and Nuclear Saturation. III. Details of the Structure of the NucleusPhysical Review B, 1955