Next:
Functionalities of Mpgrad, Rimp2,
Up:
DOK
Previous:
Polarizability Derivatives and Raman
Contents
Index
Second-order Møller-Plesset Perturbation Theory
2nd-order Møller-Plesset Perturb. Theory
Subsections
Functionalities of Mpgrad, Rimp2, Ricc2
Some Theory
How to Prepare and Perform MP2 Calculations
Prerequisites
Rimp2 Calculations
Mpgrad Calculations
General Comments on MP2 Calculations, Practical Hints
Recommendations
Comments on Output
TURBOMOLE
