Completely Orthogonalized Plane Waves
- 1 January 1971
- journal article
- research article
- Published by AIP Publishing in Journal of Mathematical Physics
- Vol. 12 (1) , 165-167
- https://doi.org/10.1063/1.1665476
Abstract
Orthogonalized plane waves (OPW's) are orthogonal to the core states by construction, but they are not mutually orthogonal. Furthermore, the set of all core states plus all OPW's is overcomplete. In this paper we construct a set of ``completely orthogonalized plane waves'' (COPW's) which share with OPW's the properties of being orthogonal to the core states and simply related to plane waves, but are superior to OPW's in that the set of all core states plus all COPW's is both orthonormal and complete (not overcomplete).Keywords
This publication has 3 references indexed in Scilit:
- Use of orthogonalized plane waves in the many-electron problemPhysica, 1966
- The Theoretical Constitution of Metallic BerylliumPhysical Review B, 1940
- A New Method for Calculating Wave Functions in CrystalsPhysical Review B, 1940