| Year |
Citation |
Score |
| 2023 |
Tehrani A, Anderson JSM, Chakraborty D, Rodriguez-Hernandez JI, Thompson DC, Verstraelen T, Ayers PW, Heidar-Zadeh F. An information-theoretic approach to basis-set fitting of electron densities and other non-negative functions. Journal of Computational Chemistry. 44: 1998-2015. PMID 37526138 DOI: 10.1002/jcc.27170 |
0.704 |
|
| 2020 |
Chakraborty D, Berland K, Thonhauser T. Next-generation non-local van der Waals density functional. Journal of Chemical Theory and Computation. PMID 32786912 DOI: 10.1021/Acs.Jctc.0C00471 |
0.4 |
|
| 2017 |
Chan M, Cuevas-Saavedra R, Chakraborty D, Ayers P. A Diagonally Updated Limited-Memory Quasi-Newton Method for the Weighted Density Approximation Computation. 5: 42. DOI: 10.3390/COMPUTATION5040042 |
0.321 |
|
| 2017 |
Chakraborty D, Cuevas-Saavedra R, Ayers PW. Two-point weighted density approximations for the kinetic energy density functional Theoretical Chemistry Accounts. 136. DOI: 10.1007/S00214-017-2149-0 |
0.693 |
|
| 2015 |
Trickey SB, Karasiev VV, Chakraborty D. Comment on "single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation", Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.117101 |
0.657 |
|
| 2015 |
Karasiev VV, Chakraborty D, Trickey SB. Improved analytical representation of combinations of Fermi-Dirac integrals for finite-temperature density functional calculations Computer Physics Communications. 192: 114-123. DOI: 10.1016/J.Cpc.2015.03.002 |
0.666 |
|
| 2014 |
Karasiev VV, Sjostrom T, Chakraborty D, Dufty JW, Runge K, Harris FE, Trickey SB. Innovations in finite-temperature density functionals Lecture Notes in Computational Science and Engineering. 96: 61-85. DOI: 10.1007/978-3-319-04912-0__3 |
0.595 |
|
| 2013 |
Karasiev VV, Chakraborty D, Shukruto OA, Trickey SB. Nonempirical generalized gradient approximation free-energy functional for orbital-free simulations Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.161108 |
0.638 |
|
| 2012 |
Cuevas-Saavedra R, Chakraborty D, Rabi S, Cárdenas C, Ayers PW. Symmetric Nonlocal Weighted Density Approximations from the Exchange-Correlation Hole of the Uniform Electron Gas. Journal of Chemical Theory and Computation. 8: 4081-4093. PMID 26605575 DOI: 10.1021/Ct300325T |
0.715 |
|
| 2012 |
Cuevas-Saavedra R, Chakraborty D, Ayers PW. Symmetric two-point weighted density approximation for exchange energies Physical Review a - Atomic, Molecular, and Optical Physics. 85. DOI: 10.1103/Physreva.85.042519 |
0.638 |
|
| 2012 |
Ayers PW, Cuevas-Saavedra R, Chakraborty D. A variational principle for the electron density using the exchange hole & its implications for N-representability Physics Letters, Section a: General, Atomic and Solid State Physics. 376: 839-844. DOI: 10.1016/J.Physleta.2012.01.028 |
0.591 |
|
| 2012 |
Chakraborty D, Cárdenas C, Echegaray E, Toro-Labbe A, Ayers PW. Understanding chemical binding using the Berlin function and the reaction force Chemical Physics Letters. 539: 168-171. DOI: 10.1016/J.Cplett.2012.04.050 |
0.508 |
|
| 2011 |
Chakraborty D, Ayers PW. Assessment of the March-Santamaria kinetic energy pair-density functional Journal of Mathematical Chemistry. 49: 1822-1830. DOI: 10.1007/S10910-011-9861-0 |
0.681 |
|
| 2011 |
Chakraborty D, Ayers PW. Failure of the Weizsäcker kinetic energy functional for one-, two-, and three-electron distribution functions Journal of Mathematical Chemistry. 49: 1810-1821. DOI: 10.1007/S10910-011-9860-1 |
0.668 |
|
| 2009 |
Cárdenas C, Echegaray E, Chakraborty D, Anderson JS, Ayers PW. Relationships between the third-order reactivity indicators in chemical density-functional theory. The Journal of Chemical Physics. 130: 244105. PMID 19566140 DOI: 10.1063/1.3151599 |
0.676 |
|
| Show low-probability matches. |