Quadratic response functions for a multiconfigurational self-consistent field wave function
The Journal of Chemical Physics, ISSN: 0021-9606, Vol: 97, Issue: 2, Page: 1174-1190
1992
- 217Citations
- 45Captures
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
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Article Description
We describe an efficient implementation of the quadratic response function for a multiconfiguration self-consistent field reference wave function. The quadratic response function determines the hyperpolarizability and its residues determine the two-photon transition matrix elements and the transition matrix elements between excited states. We report sample calculations for the hyperpolarizability of Ne and for the two-photon transition matrix elements of Ne and H. © 1992 American Institute of Physics.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=0000934548&origin=inward; http://dx.doi.org/10.1063/1.463245; https://pubs.aip.org/jcp/article/97/2/1174/828566/Quadratic-response-functions-for-a; http://aip.scitation.org/doi/10.1063/1.463245; https://aip.scitation.org/action/captchaChallenge?redirectUrl=https%3A%2F%2Faip.scitation.org%2Fdoi%2F10.1063%2F1.463245
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