Peter Knowles
Cardiff University
H-index: 69
Europe-United Kingdom
Top articles of Peter Knowles
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
A density‐fitting implementation of the density‐based basis‐set correction method | Journal of Computational Chemistry | Andreas Hesselmann Emmanuel Giner Peter Reinhardt Peter J Knowles Hans‐Joachim Werner | 2024/2/13 |
Nicholas A. Besley (1972–2021) | Jonathan D Hirst Andrew M Teale Anthony J Stace Peter J Knowles | 2023/4/18 | |
Polaritonic effects in the vibronic spectrum of molecules in an optical cavity | The Journal of Chemical Physics | Marta L Vidal Frederick R Manby Peter J Knowles | 2022/5/28 |
Perturbation-adapted perturbation theory | The Journal of Chemical Physics | Peter J Knowles | 2022/1/7 |
Real-time alerting system for COVID-19 and other stress events using wearable data | Nature medicine | Arash Alavi Gireesh K Bogu Meng Wang Ekanath Srihari Rangan Andrew W Brooks | 2022/1 |
The determination of point groups from imprecise molecular geometries | Journal of Mathematical Chemistry | Peter J Knowles | 2022/1 |
Thermochemical evaluation of adaptive and fixed density functional theory quadrature schemes | The Journal of Chemical Physics | Andreas Hesselmann Hans-Joachim Werner Peter J Knowles | 2022/12/21 |
Collins conjecture and information entropy in dissociating diatomic molecules | Physical Review A | Yu Wang Feng Wang Xiaowei Sheng Yafei Yu PJ Knowles | 2021/4/20 |
Information entropy as a measure of the correlation energy associated with the cumulant | Physical Review A | Yu Wang PJ Knowles Jian Wang | 2021/6/15 |
The Molpro quantum chemistry package | The Journal of chemical physics | Hans-Joachim Werner Peter J Knowles Frederick R Manby Joshua A Black Klaus Doll | 2020/4/14 |
MCSCF optimization revisited. II. Combined first-and second-order orbital optimization for large molecules | The Journal of Chemical Physics | David A Kreplin Peter J Knowles Hans-Joachim Werner | 2020/2/21 |
Coupling electrons and vibrations in molecular quantum chemistry | The Journal of Chemical Physics | Thomas Dresselhaus Callum Bungey Peter J Knowles Frederick R Manby | 2020/12/7 |
Molecular second-quantized Hamiltonian: Electron correlation and non-adiabatic coupling treated on an equal footing | The Journal of Chemical Physics | Marat Sibaev Iakov Polyak Frederick R Manby Peter J Knowles | 2020/9/28 |
The role of spin–orbit effects in the mobility of N+ ions moving in a helium gas at low temperature | The European Physical Journal D | Lamia Aïssaoui Peter J Knowles Moncef Bouledroua | 2020/7 |
Polaritonic coupled-cluster theory | Physical Review Research | Uliana Mordovina Callum Bungey Heiko Appel Peter J Knowles Angel Rubio | 2020/6/2 |
Co-Authors
