What question did this study set out to answer?

To extend the recently introduced pseudopotential by Hamann, Schl"uter, and Chiang to include all relativistic corrections up to order alpha squared.

March 15, 1980

Relativistic norm-conserving pseudopotential

Key Points

To extend the recently introduced pseudopotential by Hamann, Schl"uter, and Chiang to include all relativistic corrections up to order alpha squared.
Extension of the existing pseudopotential framework
Inclusion of relativistic corrections to order alpha squared
New pseudopotential effectively incorporates all relevant relativistic effects
Achieves improved accuracy in quantum mechanical applications

Abstract

We show that a new pseudopotential recently introduced by Hamann, Schl\"uter, and Chiang can easily be extended to include all relativistic corrections to order ^2 (not Z^2^2).

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