𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An Optimized Ewald Method for Long-Ranged Potentials

✍ Scribed by G. Rajagopal; R.J. Needs


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
303 KB
Volume
115
Category
Article
ISSN
0021-9991

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


An Optimized Method for Treating Long-Ra
✍ Vincent Natoli; David M. Ceperley 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 318 KB

In simulations of systems with periodic boundary conditions, the Ewald image method is used to evaluate long-range potentials by constructing infinite but rapidly converging sums in both real space and reciprocal space. However, the traditional Ewald construction is not optimal for the case where th

Theta reset produces optimal conditions
✍ Holly McCartney; Andrew D. Johnson; Zachary M. Weil; Bennet Givens 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 179 KB

## Abstract Connections among theta rhythm, long‐term potentiation (LTP) and memory in hippocampus are suggested by previous research, but definitive links are yet to be established. We investigated the hypothesis that resetting of local hippocampal theta to relevant stimuli in a working memory tas

Optimized potential method for ensembles
✍ Á. Nagy 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 163 KB 👁 1 views

The optimized potential method is derived for ensembles of excited states. The ensemble Hartree᎐Fock method is introduced and ensemble Hartree᎐Fock equations are derived. By posing the ensemble Hartree᎐Fock method as an ensemble density functional one, an ensemble exchange potential is derived. By a

Selective J-resolved HMBC, an efficient
✍ Kazuo Furihata; Mitsuru Tashiro; Haruo Seto 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 274 KB

## Abstract An efficient pulse sequence for measuring long‐range CH coupling constants (__J__~CH~) named selective __J__‐resolved HMBC has been developed by replacing a ^1^H 180° pulse with a selective ^1^H 180° pulse and the HMBC pulse scheme with the constant time (CT) HMBC employed in the __J_

A robust method for determining 1H–15N l
✍ Mike Kline; Steve Cheatham 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 161 KB

## Abstract An examination of a variety of common nitrogen‐containing systems was undertaken to optimize parameters for observation of ^1^H–^15^N long‐range correlations. Because of the diversity of coupling constants encountered with ^1^H–^15^N correlations, a modified accordion‐based sequence was