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Electron affinity of Cl: A model potential-quantum Monte Carlo study (1988)

Yoshida, Takashi ; Mizushima, Yasukazu ; Iguchi, Kaoru

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 89 (1988), S. 5815-5817

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: The MP-QMC procedure, which is a combination of the model potential (MP) and quantum Monte Carlo (QMC) method, is employed to determine the electron affinity of Cl, together with the fixed-node approximation. Only valence electrons are treated explicitly, while core electrons are replaced by an effective potential constructed with Gaussian-type functions. The expectation value of electron affinity of Cl atom is obtained from subtracting the valence energy of Cl− from that of Cl. The result is in very good agreement with experiment.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.455557

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