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Studies of hyperpolarizabilities for para-nitroaniline in the charge-transfer state: Application of a reaction-field response method
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry.
1999 (English)In: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, Vol. 75, no 4-5, 449-456 p.Article in journal (Other scientific) Published
Abstract [en]

A multiconfigurational self-consistent reaction-field linear response method was utilized to investigate the hyperpolarizabilities of a solute in an electronically excited state. The excited state is the charge-transfer state in para-nitroaniline and the

Place, publisher, year, edition, pages
1999. Vol. 75, no 4-5, 449-456 p.
Keyword [en]
NONEQUILIBRIUM SOLVATION; ELECTRON-TRANSFER; SOLVENT; MODEL; SOLUTE; CONTINUUM; MOLECULES; MEDIA
Identifiers
URN: urn:nbn:se:uu:diva-41034OAI: oai:DiVA.org:uu-41034DiVA: diva2:68935
Note
Mikkelsen KV, Univ Copenhagen, HC Orsted Inst, Dept Chem, DK-2100 Copenhagen 0, Denmark. Univ Copenhagen, HC Orsted Inst, Dept Chem, DK-2100 Copenhagen 0, Denmark. Aarhus Univ, Dept Chem, DK-8000 Aarhus, Denmark. Univ Uppsala, Dept Quantum Chem, S-75120 UAvailable from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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