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August 29
Density Functional Theory Calculations at the Basis Set Limit with Multiwavelets: from Benchmark Studies to Large Scale Systems
July 20, 2022 • 0 Comment

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r2SCAN-3c: A Robust Composite DFT method with Exceptional Performance for Reaction and Conformational Energies in Molecular and Periodic systems
July 19, 2022 • 0 Comment

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Locally Range-Separated Local Hybrid Functionals – The Next Level on the Hybrid Functional Ladder
July 19, 2022 • 0 Comment

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Right Band Gaps for the Right Reason – Can One Get Hybrid Functional Accuracy at Semi-Local Cost from a Meta-GGA
July 19, 2022 • 0 Comment

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How Reliable Are Modern Density Functional Approximations to Simulate Vibrational Spectroscopies?
July 19, 2022 • 0 Comment

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Quantum Hydrodynamic Theory with Laplacian-Level Kinetic Energy Functionals
July 19, 2022 • 0 Comment

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Correlation Functionals from the Møller-Plesset Adiabatic Connection: an Accurate Description of Noncovalent Interactions
July 19, 2022 • 0 Comment

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A Density-based Basis Set Correction for wave function methods: Overview of Recent Developments and Results
July 19, 2022 • 0 Comment

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Large Scale Quasiparticle Self-Consistent GW-BSE Calculations with Low Scaling with System Size?
July 19, 2022 • 0 Comment

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Multiconfiguration Short-Range Density Functional Theory: Status and Perspectives
July 19, 2022 • 0 Comment

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