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Minnesota functionals

Minnesota Functionals (Myz) are a group of approximate exchange-correlation energy functionals in density functional theory (DFT). They are developed… Expand
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Papers overview

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Review
2018
Review
2018
The simulation of condensed matter using quantum mechanical methods in first principles Molecular Dynamics (FPMD) heavily relies… Expand
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2017
2017
In the present investigation, the results of extensive benchmarking study of density functional theory (DFT) methods on some… Expand
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2017
2017
A comprehensive examination of the solvation enthalpies and Gibbs energies of the proton and electron in twenty solvents of… Expand
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2011
2011
for an Invited Paper for the MAR11 Meeting of The American Physical Society A theoretical study of chemical functionalisation of… Expand
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2010
2010
In this paper we investigate the functors of OH of positively homogenous functionals and OS of semiadditive functionals. We show… Expand
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2009
2009
The structural stability of different crystallographic phases of three magnesium chalcogenides, MgTe, MgS and MgSe, are… Expand
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2007
2007
Submitted for the MAR07 Meeting of The American Physical Society Quantum Monte-Carlo Study of Mn and Mn-oxide clusters. HIORI… Expand
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Highly Cited
2005
Highly Cited
2005
The electronic structure and size scaling of spectroscopic observables in conjugated polymers are investigated using time… Expand
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2002
2002
The approximate nonempirical kinetic-energy functional proposed by Tal and Bader is analyzed for polyatomic systems. The… Expand
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