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- W1978913143 abstract "The calculation of molecular energies from assumed approximate wave functions is discussed. It is shown that the conventional method, based on the Hamiltonian integral, is but one of several possible approximations, and that two other methods, the virial method and the electrostatic method, avoid the most serious difficulties encountered in a conventional calculation. The mathematical simplicity of the new methods makes them especially suitable for non-empirical calculations on complex systems. The electrostatic method is exemplified by detailed calculations on various electronic states of the hydrogen molecule and the hydrogen molecular ion." @default.
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- W1978913143 date "1954-11-09" @default.
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- W1978913143 title "The electrostatic calculation of molecular energies - I. Methods of calculating molecular energies" @default.
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- W1978913143 doi "https://doi.org/10.1098/rspa.1954.0246" @default.
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