Heßelmann A - Search Results

1

Directional Noncovalent Interactions: Repulsion and Dispersion.

El Kerdawy A, Murray JS, Politzer P, Bleiziffer P, Heßelmann A, Görling A, Clark T. El Kerdawy A, et al. Among authors: hesselmann a. J Chem Theory Comput. 2013 May 14;9(5):2264-75. doi: 10.1021/ct400185f. Epub 2013 Apr 24. J Chem Theory Comput. 2013. PMID: 26583720

2

Numerically stable optimized effective potential method with balanced Gaussian basis sets.

Hesselmann A, Götz AW, Della Sala F, Görling A. Hesselmann A, et al. J Chem Phys. 2007 Aug 7;127(5):054102. doi: 10.1063/1.2751159. J Chem Phys. 2007. PMID: 17688329

3

Relation between exchange-only optimized potential and Kohn-Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions.

Görling A, Hesselmann A, Jones M, Levy M. Görling A, et al. Among authors: hesselmann a. J Chem Phys. 2008 Mar 14;128(10):104104. doi: 10.1063/1.2826366. J Chem Phys. 2008. PMID: 18345874

4

Blindness of the exact density response function to certain types of electronic excitations: implications for time-dependent density-functional theory.

Hesselmann A, Görling A. Hesselmann A, et al. Phys Rev Lett. 2009 Jun 12;102(23):233003. doi: 10.1103/PhysRevLett.102.233003. Epub 2009 Jun 12. Phys Rev Lett. 2009. PMID: 19658932

5

Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree-Fock.

Hesselmann A, Görling A. Hesselmann A, et al. J Chem Phys. 2011 Jan 21;134(3):034120. doi: 10.1063/1.3517312. J Chem Phys. 2011. PMID: 21261343

6

Correct description of the bond dissociation limit without breaking spin symmetry by a random-phase-approximation correlation functional.

Hesselmann A, Görling A. Hesselmann A, et al. Phys Rev Lett. 2011 Mar 4;106(9):093001. doi: 10.1103/PhysRevLett.106.093001. Epub 2011 Feb 28. Phys Rev Lett. 2011. PMID: 21405619

7

Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation.

Bleiziffer P, Hesselmann A, Görling A. Bleiziffer P, et al. Among authors: hesselmann a. J Chem Phys. 2012 Apr 7;136(13):134102. doi: 10.1063/1.3697845. J Chem Phys. 2012. PMID: 22482535

8

Efficient self-consistent treatment of electron correlation within the random phase approximation.

Bleiziffer P, Heßelmann A, Görling A. Bleiziffer P, et al. Among authors: hesselmann a. J Chem Phys. 2013 Aug 28;139(8):084113. doi: 10.1063/1.4818984. J Chem Phys. 2013. PMID: 24006980

9

Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange.

Heßelmann A. Heßelmann A. J Chem Theory Comput. 2015 Apr 14;11(4):1607-20. doi: 10.1021/acs.jctc.5b00024. Epub 2015 Mar 27. J Chem Theory Comput. 2015. PMID: 26574370

10

Assessment of a Nonlocal Correction Scheme to Semilocal Density Functional Theory Methods.

Heßelmann A. Heßelmann A. J Chem Theory Comput. 2013 Jan 8;9(1):273-83. doi: 10.1021/ct300735g. Epub 2012 Nov 28. J Chem Theory Comput. 2013. PMID: 26589029

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