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An Existence Theorem for an Analytic First Order PDE in the Framework of Colombeau’s Theory

✍ Scribed by J. Aragona; M. Soares

Publisher
Springer Vienna
Year
2001
Tongue
English
Weight
103 KB
Volume
134
Category
Article
ISSN
0026-9255

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An improved algorithm for analytical gra
An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis
✍ Robert A. Distasio JR.; Ryan P. Steele; Young Min Rhee; Yihan Shao; Martin Head- 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 391 KB 👁 2 views

## Abstract We present a new algorithm for analytical gradient evaluation in resolution‐of‐the‐identity second‐order Møller‐Plesset perturbation theory (RI‐MP2) and thoroughly assess its computational performance and chemical accuracy. This algorithm addresses the potential I/O bottlenecks associat