Dimitrios G. Liakos
Dimitrios G. Liakos
Dr. Dimitrios G. Liakos
Verified email at cec.mpg.de
Title
Cited by
Cited by
Year
Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis
F Neese, A Hansen, DG Liakos
The Journal of chemical physics 131 (6), 064103, 2009
4332009
Exploring the accuracy limits of local pair natural orbital coupled-cluster theory
DG Liakos, M Sparta, MK Kesharwani, JML Martin, F Neese
Journal of chemical theory and computation 11 (4), 1525-1539, 2015
3662015
Is it possible to obtain coupled cluster quality energies at near density functional theory cost? Domain-based local pair natural orbital coupled cluster vs modern density …
DG Liakos, F Neese
Journal of chemical theory and computation 11 (9), 4054-4063, 2015
1812015
Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method …
Y Guo, C Riplinger, U Becker, DG Liakos, Y Minenkov, L Cavallo, ...
The Journal of chemical physics 148 (1), 011101, 2018
1692018
Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals
A Hansen, DG Liakos, F Neese
The Journal of chemical physics 135 (21), 214102, 2011
1582011
Weak molecular interactions studied with parallel implementations of the local pair natural orbital coupled pair and coupled cluster methods
DG Liakos, A Hansen, F Neese
Journal of chemical theory and computation 7 (1), 76-87, 2011
1382011
Improved correlation energy extrapolation schemes based on local pair natural orbital methods
DG Liakos, F Neese
The Journal of Physical Chemistry A 116 (19), 4801-4816, 2012
1062012
Interplay of Correlation and Relativistic Effects in Correlated Calculations on Transition-Metal Complexes: The (Cu2O2)2+ Core Revisited
DG Liakos, F Neese
Journal of chemical theory and computation 7 (5), 1511-1523, 2011
962011
ORCA: an ab initio DFT and semiempirical SCF-MO package
F Neese
University of Bonn, Bonn, Germany, 2007
822007
Protein–ligand interaction energies with dispersion corrected density functional theory and high-level wave function based methods
J Antony, S Grimme, DG Liakos, F Neese
The Journal of Physical Chemistry A 115 (41), 11210-11220, 2011
802011
ORCA, version 2.8
F Neese, U Becker, D Ganyushin, A Hansen, DG Liakos, C Kollmar, ...
Max-Planck-Institut für Bioanorganische Chemie: Mülheim an der Ruhr, Germany, 2010
652010
ORCA, an Ab initio, density functional and semiempirical electronic structure program package, version 2.8
F Neese
Universität Bonn: Bonn, Germany, 2010
572010
Comprehensive benchmark results for the domain based local pair natural orbital coupled cluster method (DLPNO-CCSD (T)) for closed-and open-shell systems
DG Liakos, Y Guo, F Neese
The Journal of Physical Chemistry A 124 (1), 90-100, 2019
562019
A multiconfigurational ab initio study of the zero-field splitting in the di-and trivalent hexaquo− chromium complexes
DG Liakos, D Ganyushin, F Neese
Inorganic chemistry 48 (22), 10572-10580, 2009
492009
Domain based pair natural orbital coupled cluster studies on linear and folded alkane chains
DG Liakos, F Neese
Journal of chemical theory and computation 11 (5), 2137-2143, 2015
482015
Correlated wavefunction methods in bioinorganic chemistry
F Neese, DG Liakos, S Ye
JBIC Journal of Biological Inorganic Chemistry 16 (6), 821-829, 2011
462011
Dealing with complexity in open-shell transition metal chemistry from a theoretical perspective: Reaction pathways, bonding, spectroscopy, and magnetic properties
F Neese, W Ames, G Christian, M Kampa, DG Liakos, DA Pantazis, ...
Advances in Inorganic Chemistry 62, 301-349, 2010
382010
www ORCA Version 2.9
F Neese
http://www. thch. uni-bonn. de/tc/orca/, 2012
35*2012
What is the most efficient way to reach the canonical MP2 basis set limit?
DG Liakos, R Izsák, EF Valeev, F Neese
Molecular Physics 111 (16-17), 2653-2662, 2013
322013
ORCA, version 3.0
F Neese, F Wennmohs, U Becker, D Bykov, D Ganyushin, A Hansen, ...
Max Planck Institute for Chemical Energy Conversion, Mülheim/Ruhr, Germany, 2014
282014
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Articles 1–20