✦ LIBER ✦

Gradient method for the determination of saddle points under equality-type constraints

✍ Scribed by V. N. Gorbatenko

Publisher: Springer US
Year: 1974
Tongue: English
Weight: 475 KB
Volume: 7
Category: Article
ISSN: 1573-8337
DOI: 10.1007/bf01070460

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Generalized gradient method for the dete

Generalized gradient method for the determination of (ɛ+μ, ɛ+μ)-saddle points

✍ V. G. Kurbanov 📂 Article 📅 1986 🏛 Springer US 🌐 English ⚖ 399 KB

A combined electronegativity equalizatio

A combined electronegativity equalization and electrostatic potential fit method for the determination of atomic point charges

✍ Imre Berente; Eszter Czinki; Gábor Náray-szabó 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 276 KB

## Abstract We report an approach for the determination of atomic monopoles of macromolecular systems using connectivity and geometry parameters alone. The method is appropriate also for the calculation of charge distributions based on the quantum mechanically determined wave function and does not

Kelvin Probing Technique: A Promising Me

Kelvin Probing Technique: A Promising Method for the Determination of the Yield Strain of a Solid under Different Types of Stress

✍ Li, D.Y. 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 155 KB

Determination of energy minima and saddl

Determination of energy minima and saddle points using multireference configuration interaction methods in combination with reduced gradient following: The S0 surface of H2CO and the T1 and T2 surfaces of acetylene

✍ Michal Dallos; Hans Lischka; Elizete Ventura Do Monte; Michael Hirsch; Wolfgang 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 120 KB

The implementation of the reduced gradient following (RGF) method into the COLUMBUS quantum-chemical program system is reported using the newly developed analytic MR-CISD/AQCC gradient feature. By this combination a very useful tool has been developed for general searches of stationary points on gro