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|Preprint||Authors||Date||Altmetric ↓||Reviews & Comments||Actions|
|Fast Treatment of Noncovalent Packing Using Dispersion-Corrected Harris Approximate Density Functional Theory||A. B. Sharapov, G. Hutchison,||16th Aug 2017||NA||Review Bookmark|
|Scalable Nuclear Density Functional Theory with Sky3D.||M. Afibuzzaman, H. M. A. . B. Schuetrumpf||12th Jul 2017||0||Review Bookmark|
|Towards a systematic strategy for defining a power counting in the construction of the energy density functional theory.||C. Yang, D. L. . M. Grasso||3rd Jun 2017||0||Review Bookmark|
|How Large is the Elephant in the Density Functional Theory Room?.||F. Jensen||1st May 2017||4||Review Bookmark|
|An Open-Source Framework for $N$-Electron Dynamics: II. Hybrid Density Functional Theory/Configuration Interaction Methodology.||G. Hermann, J. C. T. . V. Pohl||27th Apr 2017||1||Review Bookmark|
|Source-free exchange-correlation magnetic fields in density functional theory.||S. Sharma, A. S. . E. K. U. G. . J. K. Dewhurst||19th Apr 2017||2||Review Bookmark|
|Microscopic studies on nuclear spin-isospin properties---a personal perspective on covariant density functional theory.||H. Liang||27th Mar 2017||0||Review Bookmark|
|Frontier molecular orbitals of single molecules adsorbed on thin insulating films supported by a metal substrate: A simplified density functional theory approach.||I. Scivetti, M. Persson||27th Mar 2017||0||Review Bookmark|
|Numerical Methods for the Inverse Problem of Density Functional Theory.||D. Jensen, A. Wasserman||16th Mar 2017||2||Review Bookmark|
|Band splitting and Weyl nodes in trigonal tellurium studied by angle-resolved photoemission spectroscopy and density functional theory.||K. Nakayama, K. Y. . M. K. . S. S. . K. S. . T. O. . T. S. . T. Takahashi||6th Mar 2017||0||Review Bookmark|
|Density functional theory for dense nematics with steric interactions.||X. Zheng, P. P. . J. M. T. . E. G. Virga||3rd Mar 2017||0||Review Bookmark|
|Optimal transport with Coulomb cost and the semiclassical limit of Density Functional Theory.||U. Bindini, L. D. Pascale||17th Feb 2017||1||Review Bookmark|
|Laplacian-dependent models of the kinetic energy density: Applications in subsystem density functional theory with meta-generalized gradient approximation functionals.||S. , Miga, L. A. C. . E. F. . F. D. Sala||15th Feb 2017||NA||Review Bookmark|
|Chlorine and Bromine Isotope Fractionation of Halogenated Organic Compounds in Electron Impact Ion Source and Interpretation Using Density Functional Theory Calculations.||C. Tang, Z. S. . J. T. . C. T. . S. X. . J. L. . Y. F. . X. Peng||9th Feb 2017||1||Review Bookmark|
|Density Functional Theory is Not Straying from the Path toward the Exact Functional.||K. P. Kepp||6th Feb 2017||31||Review Bookmark|
|Wavelet Scattering Regression of Quantum Chemical Energies.||M. Hirn, St, N. P. P. Mallat||10th Jan 2017||10||Review Bookmark|
|Nonequilibrium Anderson model made simple with density functional theory||S. Kurth, G. Stefanucci,||10th Jan 2017||1||Review Bookmark|
|First-principles study of the dynamic Jahn-Teller distortion of the neutral vacancy in diamond.||J. C. A. Prentice, R. J. N. . B. Monserrat||7th Jan 2017||1||Review Bookmark|
|Distal [FeS]-Cluster Coordination in [NiFe]-Hydrogenase Facilitates Intermolecular Electron Transfer||A. Petrenko, M. Stein,||6th Jan 2017||NA||Review Bookmark|
|Tight-Binding Approximations to Time-Dependent Density Functional Theory - a fast approach for the calculation of electronically excited states||R. Rü...
|May 2016||2||Review Bookmark|