| Year |
Citation |
Score |
| 2023 |
Savin A, Karwowski J. Correcting Models with Long-Range Electron Interaction Using Generalized Cusp Conditions. The Journal of Physical Chemistry. A. PMID 36720050 DOI: 10.1021/acs.jpca.2c08426 |
0.329 |
|
| 2022 |
Teale AM, Helgaker T, Savin A, Adamo C, Aradi B, Arbuznikov AV, Ayers PW, Baerends EJ, Barone V, Calaminici P, Cancès E, Carter EA, Chattaraj PK, Chermette H, Ciofini I, et al. DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics : Pccp. PMID 36269074 DOI: 10.1039/d2cp02827a |
0.765 |
|
| 2022 |
Scemama A, Savin A. The effect of uncertainty on building blocks in molecules. The Journal of Chemical Physics. 156: 234302. PMID 35732523 DOI: 10.1063/5.0091681 |
0.33 |
|
| 2020 |
Brandenburg JG, Burke K, Fromager E, Gatti M, Giarrusso S, Gidopoulos NI, Gori-Giorgi P, Gowland D, Helgaker T, Hodgson MJP, Lacombe L, Levi G, Loos PF, Maitra NT, Maurina Morais E, ... ... Savin A, et al. New approaches to study excited states in density functional theory: general discussion. Faraday Discussions. PMID 33245076 DOI: 10.1039/d0fd90026e |
0.728 |
|
| 2020 |
Fromager E, Gidopoulos N, Gori-Giorgi P, Helgaker T, Loos PF, Malcomson T, Pernal K, Savin A, Truhlar DG, Wibowo M, Yang W. Strong correlation in density functional theory: general discussion. Faraday Discussions. PMID 33241821 DOI: 10.1039/d0fd90025g |
0.741 |
|
| 2020 |
Brandenburg JG, Burke K, Cancio A, Erhard J, Fromager E, Ghosal A, Gidopoulos N, Gori-Giorgi P, Helgaker T, Hourahine B, Jacob CR, Kooi D, Maitra N, Mulay MR, Pernal K, ... ... Savin A, et al. New density-functional approximations and beyond: general discussion. Faraday Discussions. PMID 33232402 DOI: 10.1039/d0fd90023k |
0.72 |
|
| 2020 |
Brandenburg JG, Burke K, Civalleri B, Cole DJ, Csányi G, David G, Gidopoulos NI, Gowland D, Helgaker T, Herbst MF, Hourahine B, Irons TJP, Jacob CR, Loos PF, Mehta N, ... ... Savin A, et al. Challenges for large scale simulation: general discussion. Faraday Discussions. PMID 33227116 DOI: 10.1039/d0fd90024a |
0.349 |
|
| 2020 |
Savin A. Models and corrections: Range separation for electronic interaction-Lessons from density functional theory. The Journal of Chemical Physics. 153: 160901. PMID 33138393 DOI: 10.1063/5.0028060 |
0.459 |
|
| 2020 |
Savin A. Concluding remarks for the new horizons in density functional theory Faraday Discussion. Faraday Discussions. PMID 33118588 DOI: 10.1039/d0fd00109k |
0.339 |
|
| 2018 |
Giner E, Pradines B, Ferté A, Assaraf R, Savin A, Toulouse J. Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approach. The Journal of Chemical Physics. 149: 194301. PMID 30466264 DOI: 10.1063/1.5052714 |
0.746 |
|
| 2018 |
Rebolini E, Teale AM, Helgaker T, Savin A, Toulouse J. Excitation energies from Görling–Levy perturbation theory along the range-separated adiabatic connection Molecular Physics. 116: 1443-1451. DOI: 10.1080/00268976.2017.1422811 |
0.812 |
|
| 2018 |
Reinhardt P, Toulouse J, Savin A. Range-separated density-functional theory applied to the beryllium dimer and trimer Theoretical Chemistry Accounts. 137. DOI: 10.1007/S00214-018-2370-5 |
0.756 |
|
| 2017 |
Su NQ, Pernot P, Xu X, Savin A. When does a functional correctly describe both the structure and the energy of the transition state? Journal of Molecular Modeling. 23: 65. PMID 28185112 DOI: 10.1007/S00894-017-3229-8 |
0.302 |
|
| 2016 |
Vuckovic S, Irons T, Savin A, Teale AM, Gori-Giorgi P. Exchange-correlation functionals via local interpolation along the adiabatic connection. Journal of Chemical Theory and Computation. PMID 27116427 DOI: 10.1021/Acs.Jctc.6B00177 |
0.709 |
|
| 2016 |
González-Espinoza CE, Ayers PW, Karwowski J, Savin A. Smooth models for the Coulomb potential Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-2007-5 |
0.39 |
|
| 2016 |
Teale AM, Helgaker T, Savin A. Alternative Representations of the Correlation Energy in Density-Functional Theory: A Kinetic-Energy Based Adiabatic Connection Journal of the Chinese Chemical Society. 63: 121-128. DOI: 10.1002/Jccs.201500132 |
0.409 |
|
| 2015 |
Savin A, Johnson ER. Judging density-functional approximations: some pitfalls of statistics. Topics in Current Chemistry. 365: 81-95. PMID 25707615 DOI: 10.1007/128_2014_600 |
0.343 |
|
| 2015 |
Rebolini E, Toulouse J, Teale AM, Helgaker T, Savin A. Calculating excitation energies by extrapolation along adiabatic connections Physical Review a - Atomic, Molecular, and Optical Physics. 91. DOI: 10.1103/Physreva.91.032519 |
0.797 |
|
| 2015 |
Rebolini E, Toulouse J, Teale AM, Helgaker T, Savin A. Excited states from range-separated density-functional perturbation theory Molecular Physics. DOI: 10.1080/00268976.2015.1011248 |
0.812 |
|
| 2015 |
Ayers PL, Boyd RJ, Bultinck P, Caffarel M, Carbó-Dorca R, Causá M, Cioslowski J, Contreras-Garcia J, Cooper DL, Coppens P, Gatti C, Grabowsky S, Lazzeretti P, Macchi P, Martín Pendás Á, ... ... Savin A, et al. Six questions on topology in theoretical chemistry Computational and Theoretical Chemistry. 1053: 2-16. DOI: 10.1016/J.Comptc.2014.09.028 |
0.534 |
|
| 2014 |
Rebolini E, Toulouse J, Teale AM, Helgaker T, Savin A. Excitation energies along a range-separated adiabatic connection. The Journal of Chemical Physics. 141: 044123. PMID 25084897 DOI: 10.1063/1.4890652 |
0.813 |
|
| 2014 |
Savin A. Towards a systematic way to correct density functional approximations. The Journal of Chemical Physics. 140: 18A509. PMID 24832317 DOI: 10.1063/1.4865940 |
0.363 |
|
| 2014 |
Causá M, Savin A, Silvi B. Atoms and bonds in molecules and chemical explanations Foundations of Chemistry. 16: 3-26. DOI: 10.1007/S10698-013-9192-2 |
0.354 |
|
| 2013 |
Rebolini E, Savin A, Toulouse J. Electronic excitations from a linear-response range-separated hybrid scheme Molecular Physics. 111: 1219-1234. DOI: 10.1080/00268976.2013.794313 |
0.805 |
|
| 2012 |
Sharkas K, Savin A, Jensen HJ, Toulouse J. A multiconfigurational hybrid density-functional theory. The Journal of Chemical Physics. 137: 044104. PMID 22852594 DOI: 10.1063/1.4733672 |
0.83 |
|
| 2011 |
Causà M, Savin A. Maximum probability domains in crystals: the rock-salt structure. The Journal of Physical Chemistry. A. 115: 13139-48. PMID 21958424 DOI: 10.1021/Jp205622X |
0.365 |
|
| 2011 |
Toulouse J, Zhu W, Savin A, Jansen G, Ángyán JG. Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions. The Journal of Chemical Physics. 135: 084119. PMID 21895171 DOI: 10.1063/1.3626551 |
0.817 |
|
| 2011 |
Savin A. Correcting model energies by numerically integrating along an adiabatic connection and a link to density functional approximations. The Journal of Chemical Physics. 134: 214108. PMID 21663345 DOI: 10.1063/1.3592782 |
0.339 |
|
| 2011 |
Sharkas K, Toulouse J, Savin A. Double-hybrid density-functional theory made rigorous. The Journal of Chemical Physics. 134: 064113. PMID 21322667 DOI: 10.1063/1.3544215 |
0.816 |
|
| 2010 |
Tsuchimochi T, Henderson TM, Scuseria GE, Savin A. Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory. The Journal of Chemical Physics. 133: 134108. PMID 20942524 DOI: 10.1063/1.3490478 |
0.45 |
|
| 2010 |
Zhu W, Toulouse J, Savin A, Angyán JG. Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions. The Journal of Chemical Physics. 132: 244108. PMID 20590182 DOI: 10.1063/1.3431616 |
0.822 |
|
| 2010 |
Tsuchimochi T, Scuseria GE, Savin A. Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities. The Journal of Chemical Physics. 132: 024111. PMID 20095667 DOI: 10.1063/1.3292640 |
0.484 |
|
| 2010 |
Toulouse J, Zhu W, Ángyán JG, Savin A. Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/Physreva.82.032502 |
0.755 |
|
| 2010 |
Esteban MJ, Lewin M, Savin A. Symmetry breaking of relativistic multiconfiguration methods in the nonrelativistic limit Nonlinearity. 23: 767-791. DOI: 10.1088/0951-7715/23/4/001 |
0.375 |
|
| 2010 |
BINDER H, DUTTLINGER I, LOOS H, LOCKE K, PFITZNER A, FLAD H, SAVIN A, KOHOUT M. ChemInform Abstract: Synthesis and Vibrational Spectroscopic Investigation of (H3B-Se-Se- BH3)2- and (H3B-μ2-Se(B2H5))-. Crystal Structure and Theoretical Investigation of the Molecular Structure of (H3B-μ2-Se(B2H5))-. Cheminform. 26: no-no. DOI: 10.1002/chin.199527030 |
0.606 |
|
| 2009 |
Savin A. Potential-Driven Adiabatic Connection in Density Functional Theory. Journal of Chemical Theory and Computation. 5: 822-6. PMID 26609588 DOI: 10.1021/Ct8005776 |
0.489 |
|
| 2009 |
Toulouse J, Gerber IC, Jansen G, Savin A, Angyán JG. Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation. Physical Review Letters. 102: 096404. PMID 19392541 DOI: 10.1103/Physrevlett.102.096404 |
0.759 |
|
| 2009 |
Gori-Giorgi P, Ángyán JG, Savin A. Charge density reconstitution from approximate exchange-correlation holes Canadian Journal of Chemistry. 87: 1444-1450. DOI: 10.1139/V09-104 |
0.669 |
|
| 2009 |
Savin A. Is size-consistency possible with density functional approximations? Chemical Physics. 356: 91-97. DOI: 10.1016/J.Chemphys.2008.10.023 |
0.426 |
|
| 2009 |
Henderson TM, Janesko BG, Scuseria GE, Savin A. Locally range-separated hybrids as linear combinations of range-separated local hybrids International Journal of Quantum Chemistry. 109: 2023-2032. DOI: 10.1002/Qua.22049 |
0.385 |
|
| 2009 |
Gori-Giorgi P, Savin A. Range separation combined with the Overhauser model: Application to the H2molecule along the dissociation curve International Journal of Quantum Chemistry. 109: 1950-1961. DOI: 10.1002/Qua.22034 |
0.751 |
|
| 2009 |
Gori-Giorgi P, Savin A. Study of the discontinuity of the exchange-correlation potential in an exactly soluble case International Journal of Quantum Chemistry. 109: 2410-2415. DOI: 10.1002/Qua.22021 |
0.644 |
|
| 2008 |
Henderson TM, Izmaylov AF, Scuseria GE, Savin A. Assessment of a Middle-Range Hybrid Functional. Journal of Chemical Theory and Computation. 4: 1254-62. PMID 26631701 DOI: 10.1021/Ct800149Y |
0.463 |
|
| 2008 |
Reinhardt P, Piquemal JP, Savin A. Fragment-Localized Kohn-Sham Orbitals via a Singles Configuration-Interaction Procedure and Application to Local Properties and Intermolecular Energy Decomposition Analysis. Journal of Chemical Theory and Computation. 4: 2020-9. PMID 26620475 DOI: 10.1021/Ct800242N |
0.363 |
|
| 2008 |
Krukau AV, Scuseria GE, Perdew JP, Savin A. Hybrid functionals with local range separation. The Journal of Chemical Physics. 129: 124103. PMID 19045002 DOI: 10.1063/1.2978377 |
0.432 |
|
| 2008 |
Gori-Giorgi P, Seidl M, Savin A. Intracule densities in the strong-interaction limit of density functional theory. Physical Chemistry Chemical Physics : Pccp. 10: 3440-6. PMID 18535727 DOI: 10.1039/B803709B |
0.761 |
|
| 2008 |
Gori-Giorgi P, Savin A. Degeneracy and size consistency in electronic density functional theory Journal of Physics: Conference Series. 117: 012017. DOI: 10.1088/1742-6596/117/1/012017 |
0.739 |
|
| 2007 |
Gori-Giorgi P, Savin A. High-Density Limit of Two-Electron Systems: Results from the Extended Overhauser Approach. Journal of Chemical Theory and Computation. 3: 796-802. PMID 26627398 DOI: 10.1021/Ct700019H |
0.73 |
|
| 2007 |
Henderson TM, Izmaylov AF, Scuseria GE, Savin A. The importance of middle-range Hartree-Fock-type exchange for hybrid density functionals. The Journal of Chemical Physics. 127: 221103. PMID 18081380 DOI: 10.1063/1.2822021 |
0.452 |
|
| 2007 |
GORI-GIORGI P, SAVIN A. KOHN-SHAM CALCULATIONS COMBINED WITH AN AVERAGE PAIR-DENSITY FUNCTIONAL THEORY International Journal of Modern Physics B. 21: 2449-2459. DOI: 10.1142/S0217979207043804 |
0.749 |
|
| 2007 |
Seidl M, Gori-Giorgi P, Savin A. Strictly correlated electrons in density-functional theory: A general formulation with applications to spherical densities Physical Review A. 75. DOI: 10.1103/Physreva.75.042511 |
0.736 |
|
| 2007 |
Gutlé C, Savin A. Orbital spaces and density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 75. DOI: 10.1103/PhysRevA.75.032519 |
0.807 |
|
| 2006 |
Gori-Giorgi P, Savin A. Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence Physical Review A. 73. DOI: 10.1103/Physreva.73.032506 |
0.74 |
|
| 2006 |
Gori-Giorgi P, Savin A. System-adapted correlation energy density functionals from effective pair interactions Philosophical Magazine. 86: 2643-2659. DOI: 10.1080/14786430500199120 |
0.693 |
|
| 2006 |
Toulouse J, Savin A. Local density approximation for long-range or for short-range energy functionals? Journal of Molecular Structure: Theochem. 762: 147-150. DOI: 10.1016/J.Theochem.2005.10.014 |
0.769 |
|
| 2006 |
Goll E, Werner HJ, Stoll H, Leininger T, Gori-Giorgi P, Savin A. A short-range gradient-corrected spin density functional in combination with long-range coupled-cluster methods: Application to alkali-metal rare-gas dimers Chemical Physics. 329: 276-282. DOI: 10.1016/J.Chemphys.2006.05.020 |
0.669 |
|
| 2006 |
Toulouse J, Gori-Giorgi P, Savin A. Scaling relations, virial theorem, and energy densities for long-range and short-range density functionals International Journal of Quantum Chemistry. 106: 2026-2034. DOI: 10.1002/Qua.20813 |
0.832 |
|
| 2005 |
Toulouse J, Colonna F, Savin A. Short-range exchange and correlation energy density functionals: beyond the local-density approximation. The Journal of Chemical Physics. 122: 14110. PMID 15638645 DOI: 10.1063/1.1824896 |
0.751 |
|
| 2005 |
Lngyaln JG, Gerber IC, Savin A, Toulouse J. Van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections Physical Review a - Atomic, Molecular, and Optical Physics. 72. DOI: 10.1103/Physreva.72.012510 |
0.769 |
|
| 2005 |
Gori-Giorgi P, Savin A. Simple model for the spherically and system-averaged pair density: Results for two-electron atoms Physical Review A. 71. DOI: 10.1103/Physreva.71.032513 |
0.746 |
|
| 2005 |
Toulouse J, Colonna F, Savin A. Exchange-correlation potentials and local energies per particle along nonlinear adiabatic connections Molecular Physics. 103: 2725-2734. DOI: 10.1080/00268970500134615 |
0.752 |
|
| 2005 |
Savin A. The electron localization function (ELF) and its relatives: interpretations and difficulties Journal of Molecular Structure: Theochem. 727: 127-131. DOI: 10.1016/J.Theochem.2005.02.034 |
0.397 |
|
| 2005 |
Toulouse J, Gori-Giorgi P, Savin A. A short-range correlation energy density functional with multi-determinantal reference Theoretical Chemistry Accounts. 114: 305-308. DOI: 10.1007/S00214-005-0688-2 |
0.829 |
|
| 2005 |
Savin A. On the significance of ELF basins Journal of Chemical Sciences. 117: 473-475. DOI: 10.1007/Bf02708351 |
0.349 |
|
| 2005 |
Kohn W, Savin A, Ullrich CA. Hohenberg-Kohn theory including spin magnetism and magnetic fields International Journal of Quantum Chemistry. 101: 20-21. DOI: 10.1002/Qua.20163 |
0.318 |
|
| 2004 |
Toulouse J, Colonna F, Savin A. Long-range - Short-range separation of the electron-electron interaction in density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 70: 062505-1-062505-16. DOI: 10.1103/Physreva.70.062505 |
0.768 |
|
| 2004 |
Toulouse J, Savin A, Flad HJ. Short-range exchange-correlation energy of a uniform electron gas with modified electron-electron interaction International Journal of Quantum Chemistry. 100: 1047-1056. DOI: 10.1002/Qua.20259 |
0.798 |
|
| 2003 |
Chamorro E, Fuentealba P, Savin A. Electron probability distribution in AIM and ELF basins. Journal of Computational Chemistry. 24: 496-504. PMID 12594792 DOI: 10.1002/Jcc.10242 |
0.591 |
|
| 2003 |
Colonna F, Maynau D, Savin A. Correlation energy per particle from the coupling-constant integration Physical Review A. 68. DOI: 10.1103/Physreva.68.012505 |
0.521 |
|
| 2003 |
Pollet R, Colonna F, Leininger T, Stoll H, Werner HJ, Savin A. Exchange-correlation energies and correlation holes for some two- and four-electron atoms along a nonlinear adiabatic connection in density functional theory International Journal of Quantum Chemistry. 91: 84-93. DOI: 10.1002/Qua.10395 |
0.755 |
|
| 2002 |
Gutlé C, Heully JL, Krieger JB, Savin A. Coupled-cluster calculations using local potentials Physical Review A. 66. DOI: 10.1103/Physreva.66.012504 |
0.817 |
|
| 2002 |
Toulouse J, Savin A, Adamo C. Validation and assessment of an accurate approach to the correlation problem in density functional theory: The Kriger-Chen-Iafrate-Savin model Journal of Chemical Physics. 117: 10465-10473. DOI: 10.1063/1.1521432 |
0.722 |
|
| 2002 |
Pollet R, Savin A, Leininger T, Stoll H. Combining multideterminantal wave functions with density functionals to handle near-degeneracy in atoms and molecules Journal of Chemical Physics. 116: 1250-1258. DOI: 10.1063/1.1430739 |
0.664 |
|
| 2001 |
Savin A, Colonna F, Allavena M. Analysis of the linear response function along the adiabatic connection from the Kohn-Sham to the correlated system Journal of Chemical Physics. 115: 6827-6833. DOI: 10.1063/1.1405011 |
0.493 |
|
| 2001 |
Fuentealba P, Savin A. Bonding analysis of hydrogenated lithium clusters using the electron localization function Journal of Physical Chemistry A. 105: 11531-11533. DOI: 10.1021/Jp012004B |
0.56 |
|
| 2000 |
Fuentealba P, Savin A. Electronic Structure and Bonding of the Ground State of Alkaline-Earth-Metal Monoxides and Carbides The Journal of Physical Chemistry A. 104: 10882-10886. DOI: 10.1021/jp001669v |
0.501 |
|
| 2000 |
Savin A, Colonna F. Local exchange-correlation energy density functional for monotonically decaying spherical densities ☆ Journal of Molecular Structure-Theochem. 501: 39-46. DOI: 10.1016/S0166-1280(99)00412-1 |
0.515 |
|
| 2000 |
Savin A, Colonna F. A spectral analysis of the correlation energy Journal of Molecular Structure: Theochem. 527: 121-125. DOI: 10.1016/S0166-1280(00)00484-X |
0.447 |
|
| 1999 |
Colonna F, Savin A. Correlation energies for some two- and four-electron systems along the adiabatic connection in density functional theory The Journal of Chemical Physics. 110: 2828-2835. DOI: 10.1063/1.478234 |
0.502 |
|
| 1999 |
Flad H, Schautz F, Wang Y, Dolg M, Savin A. On the bonding of small group 12 clusters The European Physical Journal D. 6: 243-254. DOI: 10.1007/Pl00021622 |
0.588 |
|
| 1999 |
Gutle C, Savin A, Krieger JB, Chen J. Correlation energy contributions from low-lying states to density functionals based on an electron gas with a gap International Journal of Quantum Chemistry. 75: 885-888. DOI: 10.1002/(Sici)1097-461X(1999)75:4/5<885::Aid-Qua53>3.0.Co;2-F |
0.825 |
|
| 1998 |
Braïda B, Hiberty PC, Savin A. A Systematic Failing of Current Density Functionals: Overestimation of Two-Center Three-Electron Bonding Energies The Journal of Physical Chemistry A. 102: 7872-7877. DOI: 10.1021/Jp982441Z |
0.483 |
|
| 1998 |
Noury S, Colonna F, Savin A, Silvi B. Analysis of the delocalization in the topological theory of chemical bond Journal of Molecular Structure. 450: 59-68. DOI: 10.1016/S0022-2860(98)00413-X |
0.383 |
|
| 1997 |
Miehlich B, Stoll H, Savin A. A correlation-energy density functional for multideterminantal wavefunctions Molecular Physics. 91: 527-536. DOI: 10.1080/002689797171418 |
0.481 |
|
| 1997 |
Grin Y, Wedig U, Wagner F, von Schnering HG, Savin A. The analysis of “empty space” in the PdGa5 structure Journal of Alloys and Compounds. 255: 203-208. DOI: 10.1016/S0925-8388(96)02836-8 |
0.388 |
|
| 1997 |
Leininger T, Stoll H, Werner H, Savin A. Combining long-range configuration interaction with short-range density functionals Chemical Physics Letters. 275: 151-160. DOI: 10.1016/S0009-2614(97)00758-6 |
0.466 |
|
| 1997 |
Fässler TF, Savin A. Chemische Bindung anschaulich: die Elektronen‐Lokalisierungs‐Funktion Chemie in Unserer Zeit. 31: 110-120. DOI: 10.1002/Ciuz.19970310303 |
0.375 |
|
| 1997 |
Savin A, Nesper R, Wengert S, Fässler TF. ELF: The Electron Localization Function Angewandte Chemie. 36: 1808-1832. DOI: 10.1002/Anie.199718081 |
0.33 |
|
| 1997 |
Perdew JP, Ernzerhof M, Burke K, Savin A. On-top pair-density interpretation of spin density functional theory, with applications to magnetism International Journal of Quantum Chemistry. 61: 197-205. DOI: 10.1002/(Sici)1097-461X(1997)61:2<197::Aid-Qua2>3.0.Co;2-R |
0.456 |
|
| 1997 |
Kohout M, Savin A. Influence of core-valence separation of electron localization function Journal of Computational Chemistry. 18: 1431-1439. DOI: 10.1002/(Sici)1096-987X(199709)18:12<1431::Aid-Jcc1>3.0.Co;2-K |
0.759 |
|
| 1996 |
Savin A, Silvi B, Colonna F. Topological analysis of the electron localization function applied to delocalized bonds Canadian Journal of Chemistry. 74: 1088-1096. DOI: 10.1139/V96-122 |
0.403 |
|
| 1996 |
Binder H, Riegel B, Heckmann G, Moscherosch M, Kaim W, von Schnering H, Hönle W, Flad H, Savin A. Generation and Characterization of Diphosphene and Triphosphene Radical Anions. Computational Studies on the Structure and Stability of P3H3•- † Inorganic Chemistry. 35: 2119-2126. DOI: 10.1021/Ic950661A |
0.501 |
|
| 1996 |
Kohout M, Savin A. Atomic shell structure and electron numbers International Journal of Quantum Chemistry. 60: 875-882. DOI: 10.1002/(Sici)1097-461X(1996)60:4<875::Aid-Qua10>3.0.Co;2-4 |
0.729 |
|
| 1995 |
Savin A. Expression of the exact electron-correlation-energy density functional in terms of first-order density matrices. Physical Review A. 52. PMID 9912523 DOI: 10.1103/Physreva.52.R1805 |
0.528 |
|
| 1995 |
Perdew JP, Savin A, Burke K. Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory. Physical Review. A. 51: 4531-4541. PMID 9912142 DOI: 10.1103/Physreva.51.4531 |
0.461 |
|
| 1995 |
Flad H, Savin A. A new Jastrow factor for atoms and molecules, using two‐electron systems as a guiding principle The Journal of Chemical Physics. 103: 691-697. DOI: 10.1063/1.470103 |
0.587 |
|
| 1995 |
Plass W, Stoll H, Preuss H, Savin A. An ab initio investigation of the molecules X2, CuX, Cu2X and CuX2 (X = Si, Ge, and Sn) Journal of Molecular Structure: Theochem. 339: 67-81. DOI: 10.1016/0166-1280(95)04170-B |
0.703 |
|
| 1995 |
Becke AD, Savin A, Stoll H. Extension of the local-spin-density exchange-correlation approximation to multiplet states Theoretica Chimica Acta. 91: 147-156. DOI: 10.1007/Bf01114982 |
0.392 |
|
| 1995 |
Binder H, Duttlinger I, Loos H, Locke K, Pfitzner A, Flad H, Savin A, Kohout M. Darstellung und schwingungsspektroskopische Untersuchung von [H3B?Se?Se?BH3]2? und [H3B-?2-Se(B2H5)]? Kristallstruktur und theoretische Untersuchung der Molek�lstruktur von [H3B-?2-Se(B2H5)]? Zeitschrift F�R Anorganische Und Allgemeine Chemie. 621: 400-404. DOI: 10.1002/Zaac.19956210310 |
0.645 |
|
| 1995 |
Savin A, Flad H. Density functionals for the Yukawa electron-electron interaction International Journal of Quantum Chemistry. 56: 327-332. DOI: 10.1002/Qua.560560417 |
0.655 |
|
| 1994 |
Flad HJ, Savin A. Transfer of electron correlation from an electron gas to inhomogeneous systems via Jastrow factors. Physical Review. A. 50: 3742-3746. PMID 9911339 DOI: 10.1103/Physreva.50.3742 |
0.572 |
|
| 1994 |
Häussermann U, Wengert S, Hofmann P, Savin A, Jepsen O, Nesper R. Localization of Electrons in Intermetallic Phases Containing Aluminum Angewandte Chemie. 33: 2069-2073. DOI: 10.1002/Anie.199420691 |
0.318 |
|
| 1992 |
Flad H, Savin A, Preuss H. Reduction of the computational effort in quantum Monte Carlo calculations with pseudopotentials through a change of the projection operators The Journal of Chemical Physics. 97: 459-463. DOI: 10.1063/1.463591 |
0.745 |
|
| 1992 |
Savin A, Jepsen O, Flad J, Andersen OK, Preuss H, Schnering HGv. Electron Localization in Solid‐State Structures of the Elements: the Diamond Structure Angewandte Chemie. 31: 187-188. DOI: 10.1002/Anie.199201871 |
0.651 |
|
| 1992 |
Savin A, Flad H, Flad J, Preuss H, Schnering HGv. On the Bonding in Carbosilanes Angewandte Chemie. 31: 185-187. DOI: 10.1002/Anie.199201851 |
0.628 |
|
| 1992 |
Savin A, Flad H, Flad J, Preuß H, von Schnering HG. Zur Bindung in Carbosilanen Angewandte Chemie. 104: 185-186. DOI: 10.1002/Ange.19921040211 |
0.48 |
|
| 1991 |
Kohout M, Savin A, Preuss H. Contribution to the electron distribution analysis. I. Shell structure of atoms The Journal of Chemical Physics. 95: 1928-1942. DOI: 10.1063/1.460989 |
0.812 |
|
| 1990 |
Fuentealba P, Savin A, Stoll H, Preuss H. Electron affinities of alkaline-earth-metal atoms. Physical Review. A. 41: 1238-1242. PMID 9903216 DOI: 10.1103/Physreva.41.1238 |
0.747 |
|
| 1990 |
Plass W, Savin A, Stoll H, Preuss H, Nesper R, Schnering HGV. Pseudopotential investigations on the molecules, copper silicides and stannides Inorganic Chemistry. 29: 860-868. DOI: 10.1021/Ic00329A057 |
0.627 |
|
| 1989 |
Fuentealba P, Savin A, Stoll H, Preuss H. Electron affinities of alkaline-earth atoms by means of different density functionals. Physical Review. A. 40: 2163-2165. PMID 9902377 DOI: 10.1103/Physreva.40.2163 |
0.785 |
|
| 1989 |
Savin A. Changes in l-shell correlation energies with a combined density functional and configuration interaction method Journal De Chimie Physique. 86: 757-762. DOI: 10.1051/jcp/1989860757 |
0.326 |
|
| 1988 |
Fuentealba P, Stoll H, Savin A. Atomic correlation energy differences by means of a polarization potential. Physical Review. A. 38: 483-486. PMID 9900187 DOI: 10.1103/Physreva.38.483 |
0.582 |
|
| Show low-probability matches. |