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Analysis of fourth-order Møller–Plesset limit energies: the importance of three-electron correlation effects

✍ Scribed by Yuan He; Dieter Cremer

Publisher
Springer
Year
2000
Tongue
English
Weight
237 KB
Volume
105
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES

Analytical differentiation of the energy
Analytical differentiation of the energy contribution due to triple excitations in fourth-order Møller-Plesset perturbation theory
✍ 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