Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules

S.J.A. van Gisbergen; J.G. Snijders; E.J. Baerends

doi:10.1063/1.477763

Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules

S.J.A. van Gisbergen
, J.G. Snijders
, E.J. Baerends

Research output: Contribution to Journal › Article › Academic › peer-review

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Abstract

In this paper we present time-dependent density functional calculations on frequency-dependent first (β) and second (γ) hyperpolarizabilities for the set of small molecules, N

Original language	English
Pages (from-to)	10657-10668
Number of pages	12
Journal	Journal of Chemical Physics
Volume	109
DOIs	https://doi.org/10.1063/1.477763
Publication status	Published - 1998

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title = "Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules",

abstract = "In this paper we present time-dependent density functional calculations on frequency-dependent first (β) and second (γ) hyperpolarizabilities for the set of small molecules, N",

author = "\{van Gisbergen\}, S.J.A. and J.G. Snijders and E.J. Baerends",

year = "1998",

doi = "10.1063/1.477763",

language = "English",

volume = "109",

pages = "10657--10668",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

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T1 - Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules

AU - van Gisbergen, S.J.A.

AU - Snijders, J.G.

AU - Baerends, E.J.

PY - 1998

Y1 - 1998

N2 - In this paper we present time-dependent density functional calculations on frequency-dependent first (β) and second (γ) hyperpolarizabilities for the set of small molecules, N

AB - In this paper we present time-dependent density functional calculations on frequency-dependent first (β) and second (γ) hyperpolarizabilities for the set of small molecules, N

U2 - 10.1063/1.477763

DO - 10.1063/1.477763

M3 - Article

SN - 0021-9606

VL - 109

SP - 10657

EP - 10668

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

ER -

Accurate density functional calculations on frequency-dependent hyperpolarizabilities of small molecules

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