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- W2022971246 abstract "Abstract A method for the use of natural orbital iterations in limited CI calculations is discussed. This method is then applied to the ground X 2 II state of the nitric oxide molecule at its experimental equilibrium internuclear separation to yield the total energy, dipole moment, spin densities at each nucleus, and approximate natural spin orbitals for this molecule." @default.
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- W2022971246 title "Natural orbital iterations for the ground state of nitric oxide" @default.
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- W2022971246 doi "https://doi.org/10.1002/qua.560050507" @default.
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