A Price, K Bryenton, E Johnson, Requirements for an accurate dispersion-corrected density, JCP 154, 230902 (2021)
J Hermann, A Tkatchenko, Van der Waals Interactions, in Handbook of Materials Modeling, 259 (Springer, 2020)
F Cipcigan, J Crain, V Sokhan, G Martyna, Electronic coarse graining: Predictive atomistic modeling of condensed matter, RMP 91, 025003 (2019)
G A DiLabio, A Otero-de-la-Roza, Noncovalent Interactions in Density Functional Theory, RCC 29, 1 (2016)
S Grimme, A Hansen, J G Brandenburg, C Bannwarth, Dispersion-Corrected Mean-Field Electronic Structure Methods, CR 116, 5105 (2016)
K Berland, V R Cooper, K Lee, E Schroder, T Thonhauser, P Hyldgaard, B I Lundqvist, Van der Waals forces in density functional theory: a review of the vdW-DF method, RPP 78, 066501 (2015)
Y Ikabata, H Nakai, Local Response Dispersion Method: A Density-Dependent Dispersion Correction for Density Functional Theory, IJQC 115, 309 (2015)
A Tkatchenko, Current Understanding of Van der Waals Effects in Realistic Materials, AM 25, 2054 (2014)
S Ehlert, U Huniar, J Ning, J Furness, J Sun, A Kaplan, J Perdew, J Brandenburg, r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications, JCP 154, 061101 (2021) – doi, r2SCAN-D4
E Caldeweyher, S Ehlert, A Hansen, H Neugebauer, S Spicher, C Bannwarth, S Grimme, A generally applicable atomic-charge dependent London dispersion correction, JCP 150, 154122 (2019) – doi
T H Pham, R Ramprasad, H V Nguyen, Density-functional description of polymer crystals: A comparative study of recent van der Waals functionals, JCP 144, 214905 (2016)
D E Taylor et al, Blind test of density-functional-based methods on intermolecular interaction energies, JCP 145, 124105 (2016) – zip
G Prampolini, P R Livotto, I Cacelli, Accuracy of Quantum Mechanically Derived Force-Fields Parameterized from Dispersion-Corrected DFT Data: The Benzene Dimer as a Prototype for Aromatic Interactions, JCTC 11, 5182 (2015)
A Ambrosetti, A M Reilly, R A DiStasio, A Tkatchenko, Long-range correlation energy calculated from coupled atomic response functions, JCP 140, 18A508 (2014) – MBD
A Austin, G A Petersson, M J Frisch, F J Dobek, G Scalmani, K Throssell, A Density Functional with Spherical Atom Dispersion Terms, JCTC 8, 4989 (2012) – APFD
L Goerigk, S Grimme, A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions, PCCP 13, 6670 (2011)
L A Burns, A Vazquez-Mayagoitia, B G Sumpter, C D Sherrill, Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM), theory, and specialized functionals, JCP 134, 084107 (2011)
S Grimme, S Ehrlich, L Goerigk, Effect of the damping function in dispersion corrected density functional theory, JCC 32, 1456 (2011) – GD3BJ
S Grimme, J Antony, S Ehrlich, H Krieg, A consistent and accurate ab initio parameterization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu, JCP 132, 154104 (2010) – GD3
J Klimes, D R Bowler, A Michaelides, Van der Waals density functionals applied to solids, PRB 83, 195131 (2011) – vdW-DF in VASP
K Lee, E D Murray, L Kong, B I Lundqvist, D C Langreth, Higher-accuracy van der Waals density functional, PRB 82, 081101 (2010) – vdW-DF2
J Chai, M Head-Gordon, Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections, PCCP 10, 6615 (2008) – WB97XD
Y Zhao, D G Truhlar, Design of Density Functionals That Are Broadly Accurate for Thermochemistry, Thermochemical Kinetics, and Nonbonded Interactions, JPCA 109, 5656 (2005) – PW6B95