# electronic hamiltonianの例文

- The electronic structure is what is described by the
*electronic Hamiltonian* and the dynamics correspond to the molecular Hamiltonian. - Here | \ zeta _ { n } \ rangle; n = j, k are eigenfunctions of the
*electronic Hamiltonian* assumed to form a complete Hilbert space in the given region in configuration space. - Within this framework the molecular Hamiltonian has been simplified to the so-called "'clamped nucleus Hamiltonian "', also called "'
*electronic Hamiltonian* "', that acts only on functions of the electronic coordinates. - Here " N " is the number of electrons in the molecule under consideration ( a factor of 2 in the energy arises from the fact that each orbital is occupied by a pair of electrons with opposite spin ), \ hat { H } is the usual
*electronic Hamiltonian*, \ hat { f } ( k ) is the one-electron Fock operator, and " ? " " i " is the orbital energy belonging to the doubly occupied spatial orbital " ? " " i ".