Cubic response functions in the random phase approximation

Patrick Norman; Dan Jonsson; Olav Vahtras; Hans Ågren

doi:10.1016/0009-2614(95)00716-H

Cubic response functions in the random phase approximation

Patrick Norman^*
, Dan Jonsson
, Olav Vahtras
, Hans Ågren

^*Corresponding author for this work

Linköping University

Research output: Contribution to journal › Article › peer-review

57 Scopus citations

Abstract

Cubic response functions in the random phase approximation have been derived and their use for computations of static and dynamic second hyperpolarizabilities is demonstrated. The performance of implemented computer strategies in terms of direct one-index transformations and of direct atomic orbital constructions of key elements is discussed. A demonstration is given by calculations of various components of the second hyperpolarizability tensor of two linked thiophene rings.

Original language	English
Pages (from-to)	7-16
Number of pages	10
Journal	Chemical Physics Letters
Volume	242
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(95)00716-H
State	Published - 11 Aug 1995
Externally published	Yes

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10.1016/0009-2614(95)00716-H

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title = "Cubic response functions in the random phase approximation",

abstract = "Cubic response functions in the random phase approximation have been derived and their use for computations of static and dynamic second hyperpolarizabilities is demonstrated. The performance of implemented computer strategies in terms of direct one-index transformations and of direct atomic orbital constructions of key elements is discussed. A demonstration is given by calculations of various components of the second hyperpolarizability tensor of two linked thiophene rings.",

author = "Patrick Norman and Dan Jonsson and Olav Vahtras and Hans {\AA}gren",

year = "1995",

month = aug,

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doi = "10.1016/0009-2614(95)00716-H",

language = "英语",

volume = "242",

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journal = "Chemical Physics Letters",

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T1 - Cubic response functions in the random phase approximation

AU - Norman, Patrick

AU - Jonsson, Dan

AU - Vahtras, Olav

AU - Ågren, Hans

PY - 1995/8/11

Y1 - 1995/8/11

N2 - Cubic response functions in the random phase approximation have been derived and their use for computations of static and dynamic second hyperpolarizabilities is demonstrated. The performance of implemented computer strategies in terms of direct one-index transformations and of direct atomic orbital constructions of key elements is discussed. A demonstration is given by calculations of various components of the second hyperpolarizability tensor of two linked thiophene rings.

AB - Cubic response functions in the random phase approximation have been derived and their use for computations of static and dynamic second hyperpolarizabilities is demonstrated. The performance of implemented computer strategies in terms of direct one-index transformations and of direct atomic orbital constructions of key elements is discussed. A demonstration is given by calculations of various components of the second hyperpolarizability tensor of two linked thiophene rings.

UR - https://www.scopus.com/pages/publications/0001865286

U2 - 10.1016/0009-2614(95)00716-H

DO - 10.1016/0009-2614(95)00716-H

M3 - 文章

AN - SCOPUS:0001865286

SN - 0009-2614

VL - 242

SP - 7

EP - 16

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-2

ER -

Cubic response functions in the random phase approximation

Abstract

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