Abstract

From international symposium on atomic, molecular, solidstate theory, and quantum statistics: Sanibel Island, Florida, USA (20 Jan 1974). The special problems introduced into the solution of the secular equation by the inclusion of relativistic effects are discussed. A method based on the use of linear combination of RAPW's is then described for solving the secular equation. This method greatly reduces the computer time and core space required to solve the secular problem and is particularly advantageous in large systems. (auth)

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