𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Generalized Hellmann–Feynman theorem in the Xα method

✍ Scribed by R. Gáspár; Á Nagy

Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
263 KB
Volume
31
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Generalized Hellmann–Feynman and curvatu
Generalized Hellmann–Feynman and curvature theorems in classical and quantum mechanics
✍ Jeremiah N. Silverman 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 719 KB

## Abstract The generalized Hellmann–Feynman and curvature theorems are derived for the generalized Sturm–Liouville‐type eigenvalue equation which is widely encountered in many branches of physics. In classical mechanics, the Sturm–Liouville eigenvalue equation primarily arises from applying the th

Generation of basis sets with high degre
Generation of basis sets with high degree of fulfillment of the Hellmann-Feynman theorem
✍ J. Fernández Rico; R. López; I. Ema; G. Ramírez 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 301 KB

## Abstract A direct relationship is established between the degree of fulfillment of the Hellman‐Feynman (electrostatic) theorem, measured as the difference between energy derivatives and electrostatic forces, and the stability of the basis set, measured from the indices that characterize the dist

First-order properties and the Hellmann–
First-order properties and the Hellmann–Feynman theorem in the case of a limited CI wave function
✍ P.-O. Nerbrant; B. Roos; A. J. Sadlej 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 526 KB

## Abstract Two distinct approaches to the calculation of first‐order properties with a limited CI wave function are discussed. One is based on the Hellmann–Feynman theorem and the other on the direct evaluation of the total energy derivative at zero perturbation. Corrections to the Hellmann–Feynma