World Library  

QR link for The Journal of Chemical Physics : The CCSD(T) complete basis set limit for Ne revisited
Add to Book Shelf
Flag as Inappropriate
Email this Book

The Journal of Chemical Physics : The CCSD(T) complete basis set limit for Ne revisited

By Ericka C. Barnes, George A. Petersson, David Feller, and Kirk A. Peterson

Click here to view

Book Id: WPLBN0002169496
Format Type: PDF eBook :
File Size: Serial Publication
Reproduction Date: 21 November 2008

Title: The Journal of Chemical Physics : The CCSD(T) complete basis set limit for Ne revisited  
Author: Ericka C. Barnes, George A. Petersson, David Feller, and Kirk A. Peterson
Volume: Issue : November 2008
Language: English
Subject: Science, Physics, Natural Science
Collections: Periodicals: Journal and Magazine Collection (Contemporary), The Journal of Chemical Physics Collection
Historic
Publication Date:
Publisher: American Institute of Physics

Citation

APA MLA Chicago

Barnes, George A. Petersson, David Feller, And Kirk A. Peterso, E. C. (n.d.). The Journal of Chemical Physics : The CCSD(T) complete basis set limit for Ne revisited. Retrieved from http://community.worldlibrary.net/


Description
Description: Recent estimates of the CCSD(T)(FC) limit for the neon atom (−128.8690±0.001 and −128.8687±0.0005 hartree) are refined. Re-examination of the basis set convergence of the separate self-consistent field, MP2-αβ, MP2-αα, CCSD–MP2, and (T) components of the valence CCSD(T) energy gives a complete basis set limit of −128.869 236±0.000 02 hartree. This can now be used as an improved benchmark to calibrate more approximate calculations.

 

Click To View

Additional Books


  • Journal of Applied Physics : Effect of g... Volume Issue : November 2008 (by )
  • Physics of Plasmas : Modeling of an adva... Volume Issue : November 2008 (by )
  • Journal of Applied Physics : Al-doped Zn... Volume Issue : November 2008 (by )
  • Applied Physics Letters : Absence of ela... Volume Issue : December 2008 (by )
  • The Journal of Chemical Physics : Analys... Volume Issue : November 2008 (by )
  • Biblioteca Hispanica : Programs of Natur... (by )
  • Journal of Applied Physics : Spectroscop... Volume Issue : November 2008 (by )
  • Biblioteca Hispanica : Notions of Natura... (by )
  • Journal of Applied Physics : Thermal pec... Volume Issue : November 2008 (by )
  • Applied Physics Letters : Ultrafast carr... Volume Issue : December 2008 (by )
  • Journal of Applied Physics : Mechanical ... Volume Issue : November 2008 (by )
  • Review of Scientific Instruments : Resis... Volume Issue : December 2008 (by )
Scroll Left
Scroll Right

 



Copyright © World Library Foundation. All rights reserved. eBooks from World Library are sponsored by the World Library Foundation,
a 501c(4) Member's Support Non-Profit Organization, and is NOT affiliated with any governmental agency or department.