Combining ab initio and machine learning method to improve the prediction of diatomic vibrational energies

Density-Corrected DFT Explained: Questions and Answers

(2022) Suhwan Song et al.   Journal of Chemical Theory and Computation

Deuteron-to-Proton Mass Ratio from Simultaneous Measurement of the Cyclotron Frequencies of H2+ and D+

(2021) David J. Fink et al.   PHYSICAL REVIEW LETTERS

Study on potential energy curves and ro-vibrational energies of DT, HT and T2 molecules

(2021) Jia Fu et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Vibrational energies of some diatomic molecules for a modified and deformed potential

(2021) C. A. Onate et al.   Scientific Reports

Improved protein structure prediction using potentials from deep learning

(2020) Andrew W. Senior et al.   NATURE

Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction

(2020) Carlos R. Baiz et al.   CHEMICAL REVIEWS

A joint data and model driven method for study diatomic vibrational spectra including dissociation behavior

(2020) Jia Fu et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Quantum Entanglement in Deep Learning Architectures

(2019) Yoav Levine et al.   PHYSICAL REVIEW LETTERS

Search for new physics with atoms and molecules

(2018) M. S. Safronova et al.   REVIEWS OF MODERN PHYSICS

Multireference Approaches for Excited States of Molecules

(2018) Hans Lischka et al.   CHEMICAL REVIEWS

LEVEL: A computer program for solving the radial Schrödinger equation for bound and quasibound levels

(2017) Robert J. Le Roy   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Theab initiocalculation of spectra of open shell diatomic molecules

(2016) Jonathan Tennyson et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Improved direct potential fit analyses for the ground electronic states of the hydrogen halides: HF/DF/TF, HCl/DCl/TCl, HBr/DBr/TBr and HI/DI/TI

(2015) John A. Coxon et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

The molecular universe

(2013) A. G. G. M. Tielens   REVIEWS OF MODERN PHYSICS

Born–Oppenheimer and Non-Born–Oppenheimer, Atomic and Molecular Calculations with Explicitly Correlated Gaussians

(2012) Sergiy Bubin et al.   CHEMICAL REVIEWS

MRCI investigations on dissociation energy and molecular constants of BCl(X1Σ+) radical

(2010) De-Heng Shi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY