MolecularExcitedStatesResult

class MolecularExcitedStatesResult(a_dict=None)

Molecular Excited States Result

Energies are in Hartree and dipole moments in A.U unless otherwise stated.

Attributes

MolecularExcitedStatesResult.algorithm_result	Returns raw algorithm result
MolecularExcitedStatesResult.energies	Returns ground state energy
MolecularExcitedStatesResult.hartree_fock_energy	Returns Hartree-Fock energy
MolecularExcitedStatesResult.nuclear_dipole_moment	Returns nuclear dipole moment X,Y,Z components in A.U when available from driver
MolecularExcitedStatesResult.nuclear_repulsion_energy	Returns nuclear repulsion energy when available from driver

Methods

MolecularExcitedStatesResult.__getitem__(key)
MolecularExcitedStatesResult.__len__()
MolecularExcitedStatesResult.clear()	rtype None
MolecularExcitedStatesResult.combine(result)	Any property from the argument that exists in the receiver is updated.
MolecularExcitedStatesResult.copy()
MolecularExcitedStatesResult.fromkeys(iterable)
MolecularExcitedStatesResult.get(k[,d])
MolecularExcitedStatesResult.items()
MolecularExcitedStatesResult.keys()
MolecularExcitedStatesResult.pop(key[, default])	If key is not found, d is returned if given, otherwise KeyError is raised.
MolecularExcitedStatesResult.popitem()	as a 2-tuple; but raise KeyError if D is empty.
MolecularExcitedStatesResult.setdefault(k[,d])
MolecularExcitedStatesResult.update(*args, …)	If E present and has a .keys() method, does: for k in E: D[k] = E[k] If E present and lacks .keys() method, does: for (k, v) in E: D[k] = v In either case, this is followed by: for k, v in F.items(): D[k] = v
MolecularExcitedStatesResult.values()
MolecularExcitedStatesResult.__len__()
MolecularExcitedStatesResult.__getitem__(key)