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Next: 55.3 The vibrational multi-reference Up: 55 VIBRATION CORRELATION PROGRAMS Previous: 55.1.3 Examples   Contents   Index   PDF

55.2 The vibrational MP2 program(VMP2)


The VMP2 program allows to perform 2nd order vibrational Møller-Plesset calculations. The program has been implemented in a grid-based and a polynomial-based version. Most of the keywords as described for the VCI program are also valid for the VMP2 program, i.e. TYPE, CITYPE, LEVEX, CIMAX, NGRID, NDIM, NBAS, VAM, COMBI, THERMO, DIPOLE, MPG and INFO. 2018-01-18