Carter EA - Search Results

1

Density Fitting and Cholesky Decomposition of the Two-Electron Integrals in Local Multireference Configuration Interaction Theory.

Krisiloff DB, Krauter CM, Ricci FJ, Carter EA. Krisiloff DB, et al. Among authors: carter ea. J Chem Theory Comput. 2015 Nov 10;11(11):5242-51. doi: 10.1021/acs.jctc.5b00762. Epub 2015 Oct 28. J Chem Theory Comput. 2015. PMID: 26574318

2

Self-consistent embedding theory for locally correlated configuration interaction wave functions in condensed matter.

Huang P, Carter EA. Huang P, et al. Among authors: carter ea. J Chem Phys. 2006 Aug 28;125(8):084102. doi: 10.1063/1.2336428. J Chem Phys. 2006. PMID: 16964996

3

Linear scaling multireference singles and doubles configuration interaction.

Chwee TS, Szilva AB, Lindh R, Carter EA. Chwee TS, et al. Among authors: carter ea. J Chem Phys. 2008 Jun 14;128(22):224106. doi: 10.1063/1.2937443. J Chem Phys. 2008. PMID: 18554005

4

Cholesky decomposition within local multireference singles and doubles configuration interaction.

Chwee TS, Carter EA. Chwee TS, et al. Among authors: carter ea. J Chem Phys. 2010 Feb 21;132(7):074104. doi: 10.1063/1.3315419. J Chem Phys. 2010. PMID: 20170212

5

Approximately size extensive local Multireference Singles and Doubles Configuration Interaction.

Krisiloff DB, Carter EA. Krisiloff DB, et al. Among authors: carter ea. Phys Chem Chem Phys. 2012 Jun 7;14(21):7710-7. doi: 10.1039/c2cp23757a. Epub 2012 Feb 22. Phys Chem Chem Phys. 2012. PMID: 22358179

6

Ab initio reaction kinetics of hydrogen abstraction from methyl formate by hydrogen, methyl, oxygen, hydroxyl, and hydroperoxy radicals.

Tan T, Pavone M, Krisiloff DB, Carter EA. Tan T, et al. Among authors: carter ea. J Phys Chem A. 2012 Aug 23;116(33):8431-43. doi: 10.1021/jp304811z. Epub 2012 Aug 10. J Phys Chem A. 2012. PMID: 22830521

7

Analysis of and remedies for unphysical ground states of the multireference averaged coupled-pair functional.

Krisiloff DB, Oyeyemi VB, Libisch F, Carter EA. Krisiloff DB, et al. Among authors: carter ea. J Chem Phys. 2014 Jan 14;140(2):024102. doi: 10.1063/1.4861035. J Chem Phys. 2014. PMID: 24437860

8

Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons.

Oyeyemi VB, Krisiloff DB, Keith JA, Libisch F, Pavone M, Carter EA. Oyeyemi VB, et al. Among authors: carter ea. J Chem Phys. 2014 Jan 28;140(4):044317. doi: 10.1063/1.4862159. J Chem Phys. 2014. PMID: 25669533

9

Correction to "Ab initio reaction kinetics of hydrogen abstraction from methyl formate by hydrogen, methyl, oxygen, hydroxyl, and hydroperoxy radicals".

Tan T, Pavone M, Krisiloff DB, Carter EA. Tan T, et al. Among authors: carter ea. J Phys Chem A. 2015 Mar 12;119(10):2186. doi: 10.1021/acs.jpca.5b01185. Epub 2015 Feb 19. J Phys Chem A. 2015. PMID: 25695734 No abstract available.

10

Bond dissociation energies of C10 and C18 methyl esters from local multireference averaged-coupled pair functional theory.

Oyeyemi VB, Dieterich JM, Krisiloff DB, Tan T, Carter EA. Oyeyemi VB, et al. Among authors: carter ea. J Phys Chem A. 2015 Apr 9;119(14):3429-39. doi: 10.1021/jp512974k. Epub 2015 Mar 25. J Phys Chem A. 2015. PMID: 25775253

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