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Physical Review Letters|August 29, 2014
Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theoryFabio Caruso, Daniel R Rohr, Maria Hellgren, et al.
The Journal of Chemical Physics|December 17, 2013
Binding and interlayer force in the near-contact region of two graphite slabs: experiment and theoryTim Gould, Ze Liu, Jefferson Zhe Liu, et al.
Physical Review Letters|January 15, 2011
Cohesive properties and asymptotics of the dispersion interaction in graphite by the random phase approximationS Lebègue, J Harl, Tim Gould, et al.
Physical Review Letters|January 30, 2026
Foundations of the Ionization Potential Condition for Localized Electron Removal in Density Functional TheoryGuy Ohad, María Camarasa-Gómez, Jeffrey B Neaton, et al.
The Journal of Chemical Physics|February 17, 2018
Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactionsJulien Claudot, Won June Kim, Anant Dixit, et al.
Physical Chemistry Chemical Physics : PCCP|December 4, 2013
Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3Yun Wang, Tim Gould, John F Dobson, et al.
ACS Nano|March 21, 2020
Hierarchical Co<sub>3</sub>O<sub>4</sub>@N-Doped Carbon Composite as an Advanced Anode Material for Ultrastable Potassium StorageDavid Adekoya, Hao Chen, Hui Ying Hoh, et al.
Angewandte Chemie (International Ed. in English)|October 14, 2024
Localized Oxidative Catalytic Reactions Triggered by Cavitation Bubbles Confinement on Copper Oxide Microstructured ParticlesValarmathi Mahendran, Quang Thang Trinh, Xie Zhangyue, et al.
ACS Nano|February 6, 2025
Synthesis of Machine Learning-Predicted Cs<sub>2</sub>PbSnI<sub>6</sub> Double Perovskite NanocrystalsPritish Mishra, Mengyuan Zhang, Manaswita Kar, et al.
Physical Chemistry Chemical Physics : PCCP|October 21, 2022
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials scienceAndrew M Teale, Trygve Helgaker, Andreas Savin, et al.
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