Publication

Accurate potential energy surfaces with a DFT plus U(R) approach

Related publications (71)

About
Privacy
Disclaimer

Graph Chatbot

Chat with Graph Search

Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.

DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.

Accurate potential energy surfaces with a DFT plus U(R) approach

Graph Chatbot

Chat with Graph Search

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Tunnel junction sensing of TATP explosive at the single-molecule level

A recipe for cracking the quantum scaling limit with machine learned electron densities

Hydrogen Bonding of Ammonia with (H,OH)-Si(001) Revealed by Experimental and Ab Initio Photoelectron Spectroscopy

Deterministic and Statistical Approaches to Quantum Chemistry

Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic Chemistry

ONETEP plus TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory

Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations

UV and IR Spectroscopy of Transition Metal–Crown Ether Complexes in the Gas Phase: Mn2+(benzo-15-crown-5)(H2O)0–2