3.9.6. horton.meanfield.guess – Initial guesses for wavefunctions

horton.meanfield.guess.guess_core_hamiltonian(*args, **kwargs)

Guess the orbitals by diagonalizing a core Hamiltonian


The overlap operator.
core1, core2, ...
A number of operators that add up to the core Hamiltonian. Any set of operators whose sum resembles a Fock operator is fine. Usually, one passes the kinetic energy and nuclear attraction integrals.
exp1, exp2, ...
A list of wavefunction expansion objects (output arguments)

This method only modifies the expansion coefficients and the orbital energies.