948 citations
- Max Planck SocietyDE3 papers
- University College LondonGB3 papers
- Deutsches Elektronen-Synchrotron DESYDE2 papers
- Aarhus UniversityDK1 paper
- Advanced Institute of Materials ScienceJP1 paper
- ALBA Synchrotron (Spain)ES1 paper
- AWE Nuclear Security TechnologiesGB1 paper
- Center for Free-Electron Laser ScienceDE1 paper
- Centre National de la Recherche ScientifiqueFR1 paper
- Charles UniversityCZ1 paper
- Chinese Academy of SciencesCN1 paper
- Crete University PressGR1 paper
6 papers
Materials for hydrogen-based energy storage: Past, recent progress and future outlook
Volodymyr A. Yartys, Marcello Baricco, Jose Bellosta von Colbe +45
Magnesium hydride owns the largest share of publications on solid materials for hydrogen storage. The Magnesium group of international experts contributing to IEA Task 32 Hydrogen…
ExoMol line lists -- XXII. The rotation-vibration spectrum of silane up to 1200 K
A. Owens, A. Yachmenev, W. Thiel +2
A variationally computed SiH rotation-vibration line list applicable for temperatures up to K is presented. The line list, called OY2T, considers transitions w…
Ambient temperature high-pressure-induced ferroelectric phase transition in CaMnTiO
J. Ruiz-Fuertes, T. Bernert, D. Zimmer +7
The ferroelectric to paraelectric phase transition of multiferroic CaMnTiO has been investigated at high pressures and ambient temperature by second harmonic generation (SH…
A highly accurate {\it ab initio} potential energy surface for methane
Alec Owens, Sergey N. Yurchenko, Andrey Yachmenev +2
A new nine-dimensional potential energy surface (PES) for methane has been generated using state-of-the-art \textit{ab initio} theory. The PES is based on explicitly correlated cou…
Approximating electronically excited states with equation-of-motion linear coupled-cluster theory
Jason N. Byrd, Varun Rishi, Ajith Perera +1
A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order Møller-Plesset partitionin…
Accurate Prediction of the Ammonia Probes of a Variable Proton-to-Electron Mass Ratio
Alec Owens, Sergei N. Yurchenko, Walter Thiel +1
A comprehensive study of the mass sensitivity of the vibration-rotation-inversion transitions of NH, NH, ND, and ND is carried out varia…