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Range-separated hybrid density functionals made simple
Free accessAmerican Institute of Physics | 2019|Keywords: COMMUNICATIONS -
Which interactions dominate in active colloids?
Free accessAmerican Institute of Physics | 2019|Keywords: COMMUNICATIONS -
Radical pair intersystem crossing: Quantum dynamics or incoherent kinetics?
Free accessAmerican Institute of Physics | 2019|Keywords: COMMUNICATIONS -
Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]
Free accessAmerican Institute of Physics | 2018|Keywords: COMMUNICATIONS -
Communication: Understanding molecular representations in machine learning: The role of uniqueness and target similarity
Free accessAmerican Institute of Physics | 2016|Keywords: COMMUNICATIONS -
A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules
Free accessAmerican Institute of Physics | 2019|Keywords: COMMUNICATIONS -
Regularized SCAN functional
Free accessAmerican Institute of Physics | 2019|Keywords: COMMUNICATIONS -
Communication: Fitting potential energy surfaces with fundamental invariant neural network
Free accessAmerican Institute of Physics | 2016|Keywords: COMMUNICATIONS -
Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy
Free accessAmerican Institute of Physics | 2016|Keywords: COMMUNICATIONS -
Polaritonic normal modes in transition state theory
Free accessAmerican Institute of Physics | 2020|Keywords: COMMUNICATIONS -
r2SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications
Free accessAmerican Institute of Physics | 2021|Keywords: COMMUNICATIONS -
Backmapping coarse-grained macromolecules: An efficient and versatile machine learning approach
Free accessAmerican Institute of Physics | 2020|Keywords: COMMUNICATIONS -
Recursive evaluation and iterative contraction of N-body equivariant features
Free accessAmerican Institute of Physics | 2020|Keywords: COMMUNICATIONS -
On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics
Free accessAmerican Institute of Physics | 2019|Keywords: COMMUNICATIONS -
Communication: Real time observation of unimolecular decay of Criegee intermediates to OH radical products
Free accessAmerican Institute of Physics | 2016|Keywords: COMMUNICATIONS -
Reproducibility of cavity-enhanced chemical reaction rates in the vibrational strong coupling regime
Free accessAmerican Institute of Physics | 2021|Keywords: COMMUNICATIONS -
Communication: VSCF/VCI vibrational spectroscopy of H7 and H9 using high-level, many-body potential energy surface and dipole moment surfaces
Free accessAmerican Institute of Physics | 2017|Keywords: COMMUNICATIONS -
Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions
Free accessAmerican Institute of Physics | 2018|Keywords: COMMUNICATIONS -
Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework
Free accessAmerican Institute of Physics | 2015|Keywords: COMMUNICATIONS -
Revisiting the Stokes-Einstein relation without a hydrodynamic diameter
Free accessAmerican Institute of Physics | 2019|Keywords: COMMUNICATIONS
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