1. IIA Institutional Repository

Browsing by Subject HF Calculations

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Issue DateTitleAuthor(s)
1998-12Evaluation of analytic molecular orbital derivatives and gradients using the effective valence shell Hamiltonian methodChaudhuri, R. K; Stevens, J. E; Freed, K. F
2010-01Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction methodChaudhuri, R. K; Chattopadhyay, S; Mahapatra, U. S; Freed, K. F
2008-08Reappraisal of cis effect in 1,2-dihaloethenes: An improved virtual orbital multireference approachChaudhuri, R. K; Hammond, J. R; Freed, K. F; Chattopadhyay, S; Mahapatra, U. S
Showing results 1 to 3 of 3