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Showing 1 to 3 of 3 for “"Hellmann-Feynman theorem"”.
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An Introduction To Hellmann-feynman Theory
The Hellmann-Feynman theorem is presented together with certain allied theorems. The origin of the Hellmann-Feynman theorem in quantum physical chemistry is described. The theorem is stated with proof and with discussion of applicability and reliability. Some adaptations of the theorem to the study …
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The electron density : a bridge between exact quantum mechanics and fuzzy chemical concepts
… is the explicit consideration of the virial theorem, e.g., by evaluating the integration of the Laplacian over the entire atomic basins and comparing this value to zero and to the value obtained from the integration of the electron gradient field over the atomic surface. The next suggestion …