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searching for Molecular Hamiltonian 4 found (28 total)

Hund's cases (1,988 words) [view diff] exact match in snippet view article find links to article

descriptions of rotational states in which specific terms in the molecular Hamiltonian and involving couplings between angular momenta are assumed to dominate

Diatomic molecule (2,550 words) [view diff] exact match in snippet view article find links to article

diatomic molecule, which are also eigenstates of the electronic molecular Hamiltonian. It is also convenient, and common, to represent a diatomic molecule

Quantum computational chemistry (3,340 words) [view diff] exact match in snippet view article find links to article

_{0}\rangle } is prepared to represent the ground state of the molecular Hamiltonian without electron correlations. The evolution of this state under

Symmetry of diatomic molecules (7,796 words) [view diff] exact match in snippet view article find links to article

elements of permutation-inversion groups commute with the full molecular Hamiltonian. In addition to point groups, there exists another kind of group