✦ LIBER ✦

A nonlinear programming approach to lower bounds for the ground-state energy of helium

✍ Scribed by I. Porras; D. Matthew Feldmann; Frederick W. King

Publisher: John Wiley and Sons
Year: 1999
Tongue: English
Weight: 170 KB
Volume: 71
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1999)71:6<455::aid-qua2>3.0.co;2-x

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✦ Synopsis

Lower-bound estimates for the ground-state energy of the helium atom are determined using nonlinear programming techniques. Optimized lower bounds are determined for single-particle, radially correlated, and general correlated wave functions. The local nature of the method employed makes it a very severe test of the accuracy of the wave function.

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Numerical investigation of a lower bound

Numerical investigation of a lower bound to the Thomas—Fermi kinetic energy and the validity of the Lieb conjecture for H−, He, Li+, B3+, O6+, Ne8+, and Mg12+

✍ P. Csavinszky 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 249 KB 👁 1 views

The purpose of the present work was twofold: First, a lower bound of Galvez and Dehesa to the Thomas-Fermi kinetic energy was investigated for the two-electron systems H-, He, Li+, B3+, 06+, Ne\*+, and MgI2+. Second, a conjecture of Lieb, relating the kinetic energy to the Thomas-Fermi kinetic energ