✦ LIBER ✦

An analysis for the DIIS acceleration method used in quantum chemistry calculations

✍ Scribed by Thorsten Rohwedder; Reinhold Schneider

Book ID: 106420010
Publisher: Springer
Year: 2011
Tongue: English
Weight: 551 KB
Volume: 49
Category: Article
ISSN: 0259-9791
DOI: 10.1007/s10910-011-9863-y

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An acceleration method of the iteration

An acceleration method of the iteration calculation using the Padé approximation in the spherical harmonics method

✍ K. Kobayashi 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 310 KB

A quantum-chemical approach to the analy

A quantum-chemical approach to the analysis of intramolecular interactions using the fragment orbitals and MNDO method. Calculations for vinyl fluoride and vinyl iodide

✍ V. M. Promyslov; P. P. Shorygin 📂 Article 📅 2000 🏛 Springer 🌐 English ⚖ 546 KB

An effective and practical method for so

An effective and practical method for solving an unnegligible problem inherent in the current calculation model for multi-support seismic analysis of structures

✍ GuoHuan Liu; Wei Guo; HongNan Li 📂 Article 📅 2010 🏛 SP Science China Press 🌐 English ⚖ 764 KB

A rapid method for determining excited s

A rapid method for determining excited state surface parameters and bond length in diatomic molecules and calculating wavefunctions for Franck-Condon factors using the quantum momentum method

✍ S.C. Lee; Soo-Y. Lee 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 813 KB

A method for the analysis of tRNA patter

A method for the analysis of tRNA patterns in Drosophila melanogaster using an amino acid analyser

✍ R.A. Davey; A.J. Howells 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 578 KB

Using tRNA and aminoacyl-tRNA synthetase preparations from Drosophila melanogaster, a method has been developed for simultaneously estimating levels of at least 15 different species of aminoacyl-tRNA. "C-labeled aminoacyl-tRNA, which is formed during a single incubation of tRNA with a mixture of 15

The need for considering multilevel anal

The need for considering multilevel analysis in CSCL research—An appeal for the use of more advanced statistical methods

✍ Ulrike Cress 📂 Article 📅 2008 🏛 Springer US 🌐 English ⚖ 303 KB