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Next: 3.19 SLAPAF Up: 3. Tutorials Previous: 3.17 GENANO


3.18 ALASKA -- A Program for Integral Derivatives

ALASKA computes the first derivatives of the one- and two-electron integrals with respect to the nuclear positions. The derivatives are contracted with the one- and two-electron densities to form the molecular gradients, which will be used by the program SLAPAF. At present the ALASKA module is tailored to use RHF-SCF and MCSCF wave functions. We postpone the discussion about ALASKA to section 3.22.



(C) Lund University, 2000

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