A comparison of density-functional-theory and coupled-cluster frequency-dependent polarizabilities and hyperpolarizabilities-Reference-Cited by-同舟云学术

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A comparison of density-functional-theory and coupled-cluster frequency-dependent polarizabilities and hyperpolarizabilities

Published:2005-01-20 Issue:2-3 Volume:103 Page:439-450
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Sałek ¶ Paweł,Helgaker * Trygve,Vahtras Olav,Ågren Hans,Jonsson ⊥ Dan,Gauss Jürgen

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/00268970412331319254

Reference40 articles.

1. Theoretical Calculations of Dipole Moments, Polarizabilities, and Hyperpolarizabilities of HF, OCS, O3, CH3F, and CH3Cl by Local Density Approximation

2. Comparison of local‐density and Hartree–Fock calculations of molecular polarizabilities and hyperpolarizabilities

3. Local Density-Functional Polarizabilities and Hyperpolarizabilities at the Basis-Set Limit

4. Calculating frequency-dependent hyperpolarizabilities using time-dependent density functional theory

5. Density functional calculations of the hyperpolarisabilities of small molecules

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