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Issue Date
Title
Author(s)
1998-12
Evaluation of analytic molecular orbital derivatives and gradients using the effective valence shell Hamiltonian method
Chaudhuri, R. K
;
Stevens, J. E
;
Freed, K. F
2010-01
Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method
Chaudhuri, R. K
;
Chattopadhyay, S
;
Mahapatra, U. S
;
Freed, K. F
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Author
2
Chaudhuri, R. K
2
Freed, K. F
1
Chattopadhyay, S
1
Mahapatra, U. S
1
Stevens, J. E
Subject
2
Ground States
2
HF Calculations
2
Perturbation Theory
1
Density Functional Theory
1
Density-Functional Theory
1
Excited Electronic States
1
Excited States
1
Gradient Methods
1
Organic Compounds
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Potential Energy Surfaces
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Date issued
1
2000 - 2010
1
1998 - 1999
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2
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