Sambhu Nath Datta
Articles written in Pramana – Journal of Physics
Volume 15 Issue 1 July 1980 pp 65-73 Solid State Physics
Ab-initio effective potentials in crystal Hartree-Fock theory
Volume 55 Issue 3 September 2000 pp 383-392 Research Articles
Variable operator technique and the min-max theorem
We investigate a variation method where the trial function is generated from the application of a variable operator on a reference function. Two conditions are identified, one for obtaining a maximum and another for a minimum. Although the conditions are easy to understand, the overall formulation is somewhat unusual as each condition gives rise to a two-step variation process. As an example, projection operators are used to form the variable operator, and by this tactics one obtains the
The two-step variational process is nevertheless more flexible than the pseudopotential formalism, for it can also be used when the variable operator is
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