Finite-field method with unbiased polarizable continuum model for evaluation of the second hyperpolarizability of an open-shell singlet molecule in solvents
Copyright © 2013 Wiley Periodicals, Inc.
Détails bibliographiques
| Publié dans: | Journal of computational chemistry. - 1984. - 34(2013), 27 vom: 15. Okt., Seite 2345-52
|
|---|
| Auteur principal: |
Inui, Tomoya
(Auteur) |
|---|
| Autres auteurs: |
Shigeta, Yasuteru,
Okuno, Katsuki,
Baba, Takeshi,
Kishi, Ryohei,
Nakano, Masayoshi |
|---|
| Format: | Article en ligne
|
|---|
| Langue: | English |
|---|
| Publié: |
2013
|
|---|
| Accès à la collection: | Journal of computational chemistry
|
|---|
| Sujets: | Journal Article
finite field method
hyperpolarizability
nonlinear optical properties
polarizable continuum model
quantum-mechanical/MM
solvent effects |
|---|