Peach MJ - Search Results

1

Assessment of a Coulomb-attenuated exchange-correlation energy functional.

Peach MJ, Helgaker T, Sałek P, Keal TW, Lutnaes OB, Tozer DJ, Handy NC. Peach MJ, et al. Phys Chem Chem Phys. 2006 Feb 7;8(5):558-62. doi: 10.1039/b511865d. Epub 2005 Nov 15. Phys Chem Chem Phys. 2006. PMID: 16482297

2

Influence of Coulomb-attenuation on exchange-correlation functional quality.

Peach MJ, Cohen AJ, Tozer DJ. Peach MJ, et al. Phys Chem Chem Phys. 2006 Oct 21;8(39):4543-9. doi: 10.1039/b608553a. Epub 2006 Aug 16. Phys Chem Chem Phys. 2006. PMID: 17047751

3

Modeling the adiabatic connection in H2.

Peach MJ, Teale AM, Tozer DJ. Peach MJ, et al. J Chem Phys. 2007 Jun 28;126(24):244104. doi: 10.1063/1.2747248. J Chem Phys. 2007. PMID: 17614534 Free article.

4

Structural and electronic properties of polyacetylene and polyyne from hybrid and Coulomb-attenuated density functionals.

Peach MJ, Tellgren EI, Sałek P, Helgaker T, Tozer DJ. Peach MJ, et al. J Phys Chem A. 2007 Nov 22;111(46):11930-5. doi: 10.1021/jp0754839. Epub 2007 Oct 27. J Phys Chem A. 2007. PMID: 17963369

5

Excitation energies in density functional theory: an evaluation and a diagnostic test.

Peach MJ, Benfield P, Helgaker T, Tozer DJ. Peach MJ, et al. J Chem Phys. 2008 Jan 28;128(4):044118. doi: 10.1063/1.2831900. J Chem Phys. 2008. PMID: 18247941 Free article.

6

Adiabatic connection forms in density functional theory: H2 and the He isoelectronic series.

Peach MJ, Miller AM, Teale AM, Tozer DJ. Peach MJ, et al. J Chem Phys. 2008 Aug 14;129(6):064105. doi: 10.1063/1.2965531. J Chem Phys. 2008. PMID: 18715049

7

TDDFT diagnostic testing and functional assessment for triazene chromophores.

Peach MJ, Le Sueur CR, Ruud K, Guillaume M, Tozer DJ. Peach MJ, et al. Phys Chem Chem Phys. 2009 Jun 14;11(22):4465-70. doi: 10.1039/b822941d. Epub 2009 Mar 3. Phys Chem Chem Phys. 2009. PMID: 19475164

8

Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionals.

Besley NA, Peach MJ, Tozer DJ. Besley NA, et al. Among authors: peach mj. Phys Chem Chem Phys. 2009 Nov 28;11(44):10350-8. doi: 10.1039/b912718f. Epub 2009 Sep 25. Phys Chem Chem Phys. 2009. PMID: 19890519

9

On the evaluation of the non-interacting kinetic energy in density functional theory.

Peach MJ, Griffiths DG, Tozer DJ. Peach MJ, et al. J Chem Phys. 2012 Apr 14;136(14):144101. doi: 10.1063/1.3700436. J Chem Phys. 2012. PMID: 22502495

10

Density functional theory and its applications.

Tozer DJ, Peach MJ. Tozer DJ, et al. Among authors: peach mj. Phys Chem Chem Phys. 2014 Jul 28;16(28):14333. doi: 10.1039/c4cp90074j. Phys Chem Chem Phys. 2014. PMID: 24930668 No abstract available.

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