Phys. Rev. A 29, 625–635 (1984)Time-dependent local-density theory of dielectric effects in small moleculesSee Also: Erratum Received 15 August 1983; published in the issue dated February 1984 A time-dependent local-density theory of the photoemission spectra and polarizabilities of finite systems is extended from atoms to molecules. The theory is implemented in a single-center formulation and is applied to N2 and C2H2. The partial photoemission cross sections and asymmetry parameters for the 1πg and 3σg levels are presented as well as the optical-frequency polarizabilities; agreement with experiment is generally, but not uniformly, excellent. © 1984 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevA.29.625
DOI:
10.1103/PhysRevA.29.625
PACS:
See AlsoErratum: Zachary H. Levine and Paul Soven, Erratum: Time-dependent local-density theory of dielectric effects in small molecules, Phys. Rev. A 35, 3964 (1987). |
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