About: On the use of MP2 theory for electron correlation in atoms and molecules     Goto   Sponge   NotDistinct   Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

AttributesValues
rdf:type
Description
  • Použitie Moeller-Plessetovej poruchovej teórie , často označovanú ako MPn pri štúdiu elektrónovej korelácie atómových a molekulových systémov je kriticky analyzované. (cs)
  • The use of Moeller-Plesset perturbation theory, frequently designated MPn, in describing electron correlation in atomic and molecular systems is critically examined. Some recently published studies have examined the higher terms in the Moeller-Plesset perturbation expansion and the convergence behaviour of the perturbation series. From these investigations conclusions about the applicability of the low order theory have been drawn which, in view of the widespread use of MP2, demand more thorough analysis. Combining the Rayleigh-Schrodinger and the Brillouin-Wigner perturbation expansions avoids an infinite order expansion and yields a closed expression which consists of the MP2 energy components together with a remainder term. The applicablity of MP2 theory then rests upon the magnitude of this remainder term rather than the behaviour of the higher order terms in the perturbation series.
  • The use of Moeller-Plesset perturbation theory, frequently designated MPn, in describing electron correlation in atomic and molecular systems is critically examined. Some recently published studies have examined the higher terms in the Moeller-Plesset perturbation expansion and the convergence behaviour of the perturbation series. From these investigations conclusions about the applicability of the low order theory have been drawn which, in view of the widespread use of MP2, demand more thorough analysis. Combining the Rayleigh-Schrodinger and the Brillouin-Wigner perturbation expansions avoids an infinite order expansion and yields a closed expression which consists of the MP2 energy components together with a remainder term. The applicablity of MP2 theory then rests upon the magnitude of this remainder term rather than the behaviour of the higher order terms in the perturbation series. (en)
Title
  • On the use of MP2 theory for electron correlation in atoms and molecules
  • On the use of MP2 theory for electron correlation in atoms and molecules (en)
  • Použitie MP2 teórie na štúdium elektrónovej korelácie v atómock a molekulách (cs)
skos:prefLabel
  • On the use of MP2 theory for electron correlation in atoms and molecules
  • On the use of MP2 theory for electron correlation in atoms and molecules (en)
  • Použitie MP2 teórie na štúdium elektrónovej korelácie v atómock a molekulách (cs)
skos:notation
  • RIV/47813059:19240/01:#0001975!RIV09-MSM-19240___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • S
http://linked.open...iv/cisloPeriodika
  • 21
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 690043
http://linked.open...ai/riv/idVysledku
  • RIV/47813059:19240/01:#0001975
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • PLESSET PERTURBATION-THEORY, SCHRODINGER EQUATION, DIVERGENT BEHAVIOR, INTRINSIC ERRORS, ENERGY, FORMALISM, SET (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV
  • [5D5068283F6F]
http://linked.open...i/riv/nazevZdroje
  • MOLECULAR PHYSICS
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 99
http://linked.open...iv/tvurceVysledku
  • Hubač, Ivan
http://linked.open...ain/vavai/riv/wos
  • 000171626500004
issn
  • 0026-8976
number of pages
http://localhost/t...ganizacniJednotka
  • 19240
Faceted Search & Find service v1.16.118 as of Jun 21 2024


Alternative Linked Data Documents: ODE     Content Formats:   [cxml] [csv]     RDF   [text] [turtle] [ld+json] [rdf+json] [rdf+xml]     ODATA   [atom+xml] [odata+json]     Microdata   [microdata+json] [html]    About   
This material is Open Knowledge   W3C Semantic Web Technology [RDF Data] Valid XHTML + RDFa
OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 107 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software