manual   quickstart   instguide   update   basis

Next: 43.9 Optimization control Up: 43 THE VB PROGRAM Previous: 43.7.3 Read orbitals or   Contents   Index   PDF

43.8 Permuting orbitals


Permutes the orbitals in the valence bond wavefunction and changes their phases according to $\phi_j'={\rm sign}(i_j)\phi_{{\rm abs}(i_j)}$. The guess may be further modified using the GUESS keyword. Also the structure coefficients will be transformed according to the given permutation (note that the configuration list must be closed under the orbital permutation for this to be possible). 2018-06-21