Direct Calculation of First- and Second-Order Density Matrices. The Higher RPA Method
- 1 August 1971
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 55 (3) , 1218-1230
- https://doi.org/10.1063/1.1676208
Abstract
We present a procedure for approximately determining the first‐ and second‐order density matrices of pure‐state N‐fermion systems. A higher random‐phase approximation is used to derive a method in which the resulting density matrices are approximated self‐consistently in an iterative scheme. As test calculations, the method is applied to the ground states of the helium, lithium, and beryllium atoms. The possibility and importance of obtaining error bounds involving the density matrices are discussed.Keywords
This publication has 14 references indexed in Scilit:
- Construction of Approximately-Representable Density MatricesPhysical Review A, 1970
- Equations-of-Motion Method and the Extended Shell ModelReviews of Modern Physics, 1968
- Reduced-density-matrix theory: The electron-pair approximationTheoretical Chemistry Accounts, 1967
- Nuclear ground states in the random phase approximationPhysics Letters, 1965
- Improved single-particle propagators in the theory of conjugated systemsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1965
- Structure of Fermion Density MatricesReviews of Modern Physics, 1963
- Extension of the Shell Model for Heavy Spherical NucleiPhysical Review B, 1960
- Some Recent Advances in Density Matrix TheoryReviews of Modern Physics, 1960
- Correlation Energy of an Electron Gas at High DensityPhysical Review B, 1957
- On theValues of the Alkali AtomsPhysical Review B, 1949