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Assessment of higher order correlation effects with the help of Moller-Plesset perturbation theory up to sixth order

✍ Scribed by He, Yuan; Cremer, Dieter


Book ID
126822616
Publisher
Taylor and Francis Group
Year
2000
Tongue
English
Weight
425 KB
Volume
98
Category
Article
ISSN
0026-8976

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Analytical differentiation of the energy
✍ Jürgen Gauss; Dieter Cremer 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 484 KB

Formulae for the analytical differentiation of the energy contribution due to triple (T) excitations within fourth-order Msller-Plesset (MP4) perturbation theory are derived. Combining these formulae with previously derived formulae for the evaluation of analytical first derivatives of the energy co