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A. Savin · SciRah

Researcher profile · Semantic Scholar

A. Savin

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A. Savin — researcher profile on SciRah

h-index: 55
Works: 191
Citations: 17K

Most-cited papers

van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections
J. Ángyán, I. Gerber, A. Savin, J. Toulouse
2005262 citations Open access
Semantic Scholar
Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation.
J. Toulouse, I. Gerber, G. Jansen, A. Savin +1 more
2008Physical Review Letters211 citations Open access
Semantic Scholar
Double-hybrid density-functional theory made rigorous.
Kamal Sharkas, J. Toulouse, A. Savin
2010Journal of Chemical Physics187 citations Open access
Semantic Scholar
Strictly correlated electrons in density-functional theory: A general formulation with applications to spherical densities
M. Seidl, P. Gori-Giorgi, A. Savin
2007158 citations Open access
Semantic Scholar
The importance of middle-range Hartree-Fock-type exchange for hybrid density functionals.
T. M. Henderson, A. Izmaylov, G. Scuseria, A. Savin
2007Journal of Chemical Physics157 citations
Semantic Scholar
Assessment of a Middle-Range Hybrid Functional.
T. M. Henderson, A. Izmaylov, G. Scuseria, A. Savin
2008Journal of Chemical Theory and Computation154 citations
Semantic Scholar
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
A. M. Teale, T. Helgaker, A. Savin, C. Adamo +66 more
2022Physical Chemistry, Chemical Physics - PCCP153 citations Open access
Semantic Scholar
A short-range gradient-corrected spin density functional in combination with long-range coupled-cluster methods: Application to alkali-metal rare-gas dimers
E. Goll, H. Werner, H. Stoll, T. Leininger +2 more
2006142 citations
Semantic Scholar
Hybrid functionals with local range separation.
Aliaksandr V. Krukau, G. Scuseria, J. Perdew, A. Savin
2008Journal of Chemical Physics134 citations
Semantic Scholar
Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions.
Wuming Zhu, J. Toulouse, A. Savin, J. Ángyán
2014Journal of Chemical Physics126 citations Open access
Semantic Scholar
Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications
J. Toulouse, Wuming Zhu, J. Ángyán, A. Savin
2010102 citations Open access
Semantic Scholar
Six questions on topology in theoretical chemistry
P. Ayers, R. J. Boyd, P. Bultinck, M. Caffarel +21 more
201588 citations Open access
Semantic Scholar
Prediction uncertainty of density functional approximations for properties of crystals with cubic symmetry.
P. Pernot, B. Civalleri, D. Presti, A. Savin
2015Journal of Physical Chemistry A87 citations Open access
Semantic Scholar
Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions.
J. Toulouse, Wuming Zhu, A. Savin, G. Jansen +1 more
2011Journal of Chemical Physics86 citations Open access
Semantic Scholar
A multiconfigurational hybrid density-functional theory.
Kamal Sharkas, A. Savin, Hans Jørgen Aagaard Jensen, J. Toulouse
2012Journal of Chemical Physics83 citations Open access
Semantic Scholar
The ELF Perspective of chemical bonding
Y. Grin, A. Savin, B. Silvi
201482 citations
Semantic Scholar
Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection
Stefan Vuckovic, Tom J. P. Irons, A. Savin, A. M. Teale +1 more
2016Journal of Chemical Theory and Computation52 citations Open access
Semantic Scholar
Maximum probability domains from Quantum Monte Carlo calculations
A. Scemama, M. Caffarel, A. Savin
2007Journal of Computational Chemistry50 citations Open access
Semantic Scholar
Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approach.
E. Giner, B. Pradines, A. Ferté, R. Assaraf +2 more
2018Journal of Chemical Physics49 citations Open access
Semantic Scholar
On choosing the best density functional approximation
B. Civalleri, D. Presti, R. Dovesi, A. Savin
201248 citations
Semantic Scholar
Fragment-localized Kohn#sham Orbitals via a Singles Configuration-interaction Procedure and Application to Local Properties and Intermolecular Energy Decomposition Analysis † Fragment-localized Kohn-sham Orbitals via a Singles Configuration-interaction Procedure and Application to Local Properties a
P. Reinhardt, Jean-Philip Piquemal, A. Savin
200848 citations
Semantic Scholar
Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errors.
P. Pernot, A. Savin
2018Journal of Chemical Physics43 citations Open access
Semantic Scholar
Study of the discontinuity of the exchange-correlation potential in an exactly soluble case
P. Gori-Giorgi, A. Savin
200839 citations Open access
Semantic Scholar
Analytic models of domain-averaged Fermi holes: a new tool for the study of the nature of chemical bonds.
R. Ponec, D. L. Cooper, A. Savin
2008Chemistry38 citations
Semantic Scholar
Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities.
T. Tsuchimochi, G. Scuseria, A. Savin
2010Journal of Chemical Physics35 citations
Semantic Scholar
Locally range‐separated hybrids as linear combinations of range‐separated local hybrids
T. M. Henderson, Benjamin G. Janesko, G. Scuseria, A. Savin
200929 citations
Semantic Scholar
Impact of non-normal error distributions on the benchmarking and ranking of quantum machine learning models
P. Pernot, Bing Huang, A. Savin
2020Machine Learning: Science and Technology27 citations Open access
Semantic Scholar
Atoms and bonds in molecules and chemical explanations
M. Causà, A. Savin, B. Silvi
2013Foundations of Chemistry: Philosophical, Historical, Educational and Interdisciplinary Studies of Chemistry26 citations Open access
Semantic Scholar
The Bond Analysis Techniques (ELF and Maximum Probability Domains) Application to a Family of Models Relevant to Bio-Inorganic Chemistry
M. Causà, Maddalena D'Amore, Carmine Garzillo, F. Gentile +1 more
201325 citations
Semantic Scholar
A view of covalent and ionic bonding from Maximum Probability Domains
M. Menéndez, Á. M. Pendás, Benoît Braïda, A. Savin
201524 citations Open access
Semantic Scholar
Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory.
T. Tsuchimochi, T. M. Henderson, G. Scuseria, A. Savin
2010Journal of Chemical Physics24 citations Open access
Semantic Scholar
Local density approximation for long-range or for short-range energy functionals?
J. Toulouse, A. Savin
200624 citations Open access
Semantic Scholar
Degeneracy and size consistency in electronic density functional theory
P. Gori-Giorgi, A. Savin
200823 citations Open access
Semantic Scholar
Electronic excitations from a linear-response range-separated hybrid scheme
E. Rebolini, A. Savin, J. Toulouse
201321 citations Open access
Semantic Scholar
Maximum probability domains in crystals: the rock-salt structure.
M. Causà, A. Savin
2011Journal of Physical Chemistry A21 citations
Semantic Scholar
Models and corrections: Range separation for electronic interaction-Lessons from density functional theory.
A. Savin
2020Journal of Chemical Physics20 citations Open access
Semantic Scholar
Scaling relations, virial theorem, and energy densities for long-range and short-range density functionals
J. Toulouse, P. Gori-Giorgi, A. Savin
200620 citations Open access
Semantic Scholar
Orbital spaces and density-functional theory
C. Gutlé, A. Savin
200718 citations
Semantic Scholar
Orbital-Free Embedding Effective Potential in Analytically Solvable Cases
A. Savin, T. Wesołowski
200917 citations Open access
Semantic Scholar
Excitation energies along a range-separated adiabatic connection.
E. Rebolini, J. Toulouse, A. M. Teale, T. Helgaker +1 more
2014Journal of Chemical Physics16 citations Open access
Semantic Scholar
Smooth models for the Coulomb potential
Cristina E. Gonzalez-Espinoza, P. Ayers, J. Karwowski, A. Savin
2016Theoretical Chemistry accounts15 citations Open access
Semantic Scholar
Understanding Maximum Probability Domains with Simple Models
Osvaldo Mafra Lopes, Benoît Braïda, M. Causà, A. Savin
201215 citations Open access
Semantic Scholar
Intracule densities in the strong-interaction limit of density functional theory.
P. Gori-Giorgi, M. Seidl, A. Savin
2008Physical Chemistry, Chemical Physics - PCCP15 citations Open access
Semantic Scholar
Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. I. Theory.
P. Pernot, A. Savin
2020Journal of Chemical Physics14 citations Open access
Semantic Scholar
Charge density reconstitution from approximate exchange-correlation holes
P. Gori-Giorgi, J. Ángyán, A. Savin
200914 citations
Semantic Scholar
Judging Density-Functional Approximations: Some Pitfalls of Statistics
A. Savin, E. Johnson
201413 citations Open access
Semantic Scholar
Calculating excitation energies by extrapolation along adiabatic connections
E. Rebolini, J. Toulouse, A. M. Teale, T. Helgaker +1 more
201512 citations Open access
Semantic Scholar
Correcting model energies by numerically integrating along an adiabatic connection and a link to density functional approximations.
A. Savin
2011Journal of Chemical Physics12 citations
Semantic Scholar
Using the Gini coefficient to characterize the shape of computational chemistry error distributions
P. Pernot, A. Savin
2020Theoretical Chemistry accounts10 citations Open access
Semantic Scholar
Towards a systematic way to correct density functional approximations.
A. Savin
2014Journal of Chemical Physics10 citations Open access
Semantic Scholar

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