DIIS — (direct inversion in the iterative subspace or direct inversion of the iterative subspace), also known as Pulay mixing, is an extrapolation technique. DIIS was developed by Peter Pulay in the field of computational quantum chemistry with the… … Wikipedia
Eötvös Loránd University — Infobox University name=Eötvös Loránd University latin name=Universitas Budapestinensis de Rolando Eötvös nominata image size= 155px established=1635 type=Public rector=Ferenc Hudecz, Dr. students=30,000 city=Budapest country=Hungary campus=Urban … Wikipedia
Universidad Eötvös Loránd — Eötvös Loránd Tudományegyetem Universidad Eötvös Loránd Campus Lágymányosi Acrónimo ELTE … Wikipedia Español
Oxyde de carbone — Un oxyde de carbone est un composé chimique constitué d une combinaison d atomes de carbone et d oxygène uniquement[1],[2]. Les plus simples et les plus communs des oxydes de carbone sont le monoxyde de carbone, CO, et le dioxyde de carbone, CO2 … Wikipédia en Français
International Academy of Quantum Molecular Science — The International Academy of Quantum Molecular Science is an international scientific learned society covering all applications of quantum theory to chemistry and chemical physics. It was created in Menton in 1967. The founding members were… … Wikipedia
PQS (chemical) — PQS is a general purpose quantum chemistry program. Its roots go back to the first ab initio gradient program developed in Professor Peter Pulay s group but now it is developed and distributed commercially by Parallel Quantum Solutions. There is… … Wikipedia
Generalized minimal residual method — In mathematics, the generalized minimal residual method (usually abbreviated GMRES) is an iterative method for the numerical solution of a system of linear equations. The method approximates the solution by the vector in a Krylov subspace with… … Wikipedia
Académie internationale des sciences moléculaires quantiques — L Académie internationale de science moléculaire quantique (en anglais International Academy of Quantum Molecular Science) est une société savante scientifique internationale s intéressant à toutes les applications de la théorique quantique à la… … Wikipédia en Français
1. VfL Potsdam — VfL Potsdam Voller Name 1. VfL Potsdam von 1990 e.V. Abkürzung(en) VfL Gegründet 19. April … Deutsch Wikipedia
Oxocarbon — An oxocarbon or oxide of carbon is an inorganic compound consisting only of carbon and oxygen.[1][2] The simplest and most common oxocarbons are carbon monoxide (CO) and carbon dioxide (CO2). Many other stable or metastable oxides of carbon are… … Wikipedia
