ResearcherID Thomson Reuters  

Grüning, Myrta
Create a ResearcherID badge for this researcher View publications analytics for this researcher
Close
ResearcherID: B-1515-2009
URL: http://www.researcherid.com/rid/B-1515-2009
Subject: Chemistry; Physics
Keywords: density functional theory; condensed matter physics; molecular physics; theoretical chemistry, computational material science; solid state physics; ab initio calculation ; computational chemistry ; molecular properties; ab initio electronic structure; optical absorption
ORCID: http://orcid.org/0000-0002-2549-6351
My Institutions (more details)
Primary Institution:
Sub-org/Dept:
Role:
Past Institutions: Universidade de Coimbra; Universite catholique de Louvain (UCL); Vrije Universiteit Amsterdam; Donostia International Physics Center
Description:
My URLs: http://www.myrta.eu
 
 

This list contains papers that I have authored.

publication(s)  
First Page Previous Page Page   of  3  Go Next Page Last Page
  Sort by:    Results per page: 
1.  Title: yambo: An ab initio tool for excited state calculations
 Author(s): MARINIE, A; HOGAN, C; GRUNING, M; et al.
 Source: COMPUTER PHYSICS COMMUNICATIONS Volume: 180 Issue: 8 Pages: 1392-1403 Published: AUG 2009
 Times Cited: 314
 DOI: 10.1016/j.cpc.2009.02.003
added
09-Oct-09
2.  Title: Shape corrections to exchange-correlation potentials by gradient-regulated seamless connection of model potentials for inner and outer region
 Author(s): GRUNING, M; GRITSENKO, OV; VAN GISBERGEN, SJA; et al.
 Source: JOURNAL OF CHEMICAL PHYSICS Volume: 114 Issue: 2 Pages: 652-660 Published: JAN 8 2001
 Times Cited: 260
added
10-Apr-09
3.  Title: On the required shape corrections to the local density and generalized gradient approximations to the Kohn-Sham potentials for molecular response calculations of (hyper)polarizabilities and excitation energies
 Author(s): GRUNING, M; GRITSENKO, OV; VAN GISBERGEN, SJA; et al.
 Source: JOURNAL OF CHEMICAL PHYSICS Volume: 116 Issue: 22 Pages: 9591-9601 Published: JUN 8 2002
 Times Cited: 102
added
10-Apr-09
4.  Title: Density functionals from many-body perturbation theory: The band gap for semiconductors and insulators
 Author(s): GRUNING, M; MARINI, A; RUBIO, A
 Source: JOURNAL OF CHEMICAL PHYSICS Volume: 124 Issue: 15 Published: APR 21 2006
 Times Cited: 100
added
10-Apr-09
5.  Title: Exchange potential from the common energy denominator approximation for the Kohn-Sham Green's function: Application to (hyper)polarizabilities of molecular chains
 Author(s): GRUNING, M; GRITSENKO, OV; BAERENDS, EJ
 Source: JOURNAL OF CHEMICAL PHYSICS Volume: 116 Issue: 15 Pages: 6435-6442 Published: APR 15 2002
 Times Cited: 79
added
10-Apr-09
6.  Title: Exciton-Plasmon States in Nanoscale Materials: Breakdown of the Tamm-Dancoff Approximation
 Author(s): GRUNING, M; MARINI, A; GONZE, X
 Source: NANO LETTERS Volume: 9 Issue: 8 Pages: 2820-2824 Published: AUG 2009
 Times Cited: 74
 DOI: 10.1021/nl803717g
added
09-Oct-09
7.  Title: The failure of generalized gradient approximations (GGAs) and meta-GGAs for the two-center three-electron bonds in He-2(+), (H2O)(2)(+), and (NH3)(2)(+)
 Author(s): GRUNING, M; GRITSENKO, OV; VAN GISBERGEN, SJA; et al.
 Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 105 Issue: 40 Pages: 9211-9218 Published: 2001
 Times Cited: 72
added
10-Apr-09
8.  Title: Performance of density functionals for calculating barrier heights of chemical reactions relevant to astrophysics
 Author(s): ANDERSSON, S; GRUNING, M
 Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 108 Issue: 37 Pages: 7621-7636 Published: 2004
 Times Cited: 70
added
10-Apr-09
9.  Title: Density Functional study of the photoactive yellow protein's chromophore
 Author(s): SERGI, A; GRUNING, M; FERRARIO, M; et al.
 Source: JOURNAL OF PHYSICAL CHEMISTRY B Volume: 105 Issue: 19 Pages: 4386-4391 Published: MAY 17 2001
 Times Cited: 55
added
10-Apr-09
10.  Title: Effect of spatial nonlocality on the density functional band gap
 Author(s): GRUNING, M; MARINI, A; RUBIO, A
 Source: PHYSICAL REVIEW B Volume: 74 Issue: 16 Published: OCT 2006
 Times Cited: 49
added
10-Apr-09
publication(s)  
First Page Previous Page Page   of  3  Go Next Page Last Page
  Sort by:    Results per page: