Born–Oppenheimer and non-Born–Oppenheimer, atomic and molecular calculations with explicitly correlated Gaussians S Bubin, M Pavanello, WC Tung, KL Sharkey, L Adamowicz Chemical reviews 113 (1), 36-79, 2013 | 179 | 2013 |
Analytical energy gradient in variational calculations of the two lowest P3 states of the carbon atom with explicitly correlated Gaussian basis functions KL Sharkey, S Bubin, L Adamowicz The Journal of Chemical Physics 132 (18), 2010 | 36 | 2010 |
Lower Rydberg states of the lithium atom: Finite-nuclear-mass calculations with explicitly correlated Gaussian functions KL Sharkey, S Bubin, L Adamowicz Physical Review A—Atomic, Molecular, and Optical Physics 83 (1), 012506, 2011 | 35 | 2011 |
Algorithm for quantum-mechanical finite-nuclear-mass variational calculations of atoms with two electrons using all-electron explicitly correlated Gaussian basis … KL Sharkey, M Pavanello, S Bubin, L Adamowicz Physical Review A—Atomic, Molecular, and Optical Physics 80 (6), 062510, 2009 | 32 | 2009 |
An algorithm for calculating atomic D states with explicitly correlated Gaussian functions KL Sharkey, S Bubin, L Adamowicz The Journal of Chemical Physics 134 (4), 2011 | 26 | 2011 |
Refinement of the experimental energy levels of higher 2D Rydberg states of the lithium atom with very accurate quantum mechanical calculations KL Sharkey, S Bubin, L Adamowicz The Journal of chemical physics 134 (19), 2011 | 24 | 2011 |
An algorithm for nonrelativistic quantum-mechanical finite-nuclear-mass variational calculations of nitrogen atom in L= 0, M= 0 states using all-electrons explicitly correlated … KL Sharkey, L Adamowicz The Journal of Chemical Physics 140 (17), 2014 | 21 | 2014 |
An algorithm for non-Born-Oppenheimer quantum mechanical variational calculations of N= 1 rotationally excited states of diatomic molecules using all-particle explicitly … KL Sharkey, N Kirnosov, L Adamowicz The Journal of Chemical Physics 139 (16), 2013 | 19 | 2013 |
Charge asymmetry in rovibrationally excited HD+ determined using explicitly correlated all-particle Gaussian functions N Kirnosov, KL Sharkey, L Adamowicz The Journal of Chemical Physics 139 (20), 2013 | 15 | 2013 |
An algorithm for quantum mechanical finite-nuclear-mass variational calculations of atoms with L= 3 using all-electron explicitly correlated Gaussian basis functions KL Sharkey, N Kirnosov, L Adamowicz The Journal of Chemical Physics 138 (10), 2013 | 15 | 2013 |
Non-Born-Oppenheimer method for direct variational calculations of diatomic first excited rotational states using explicitly correlated all-particle Gaussian functions KL Sharkey, N Kirnosov, L Adamowicz Physical Review A—Atomic, Molecular, and Optical Physics 88 (3), 032513, 2013 | 10 | 2013 |
Possibility of metastable atomic metallic hydrogen CM Tenney, KL Sharkey, JM McMahon Physical Review B 102 (22), 224108, 2020 | 9 | 2020 |
Non-Born–Oppenheimer variational method for calculation of rotationally excited binuclear systems N Kirnosov, KL Sharkey, L Adamowicz Journal of Physics B: Atomic, Molecular and Optical Physics 48 (19), 195101, 2015 | 9 | 2015 |
A comparison of two types of explicitly correlated Gaussian functions for non-Born-Oppenheimer molecular calculations using a model potential M Formanek, KL Sharkey, N Kirnosov, L Adamowicz The Journal of Chemical Physics 141 (15), 2014 | 7 | 2014 |
Charge asymmetry in the rovibrationally excited HD molecule N Kirnosov, K Sharkey, L Adamowicz The Journal of chemical physics 140 (10), 2014 | 7 | 2014 |
states of the beryllium atom: Quantum mechanical nonrelativistic calculations employing explicitly correlated Gaussian functions KL Sharkey, S Bubin, L Adamowicz Physical Review A—Atomic, Molecular, and Optical Physics 84 (4), 044503, 2011 | 7 | 2011 |
Lifetimes of rovibrational levels of N Kirnosov, KL Sharkey, L Adamowicz Physical Review A 89 (1), 012513, 2014 | 5 | 2014 |
Prediction of 2D Rydberg energy levels of 6Li and 7Li based on very accurate quantum mechanical calculations performed with explicitly correlated Gaussian functions S Bubin, KL Sharkey, L Adamowicz The Journal of Chemical Physics 138 (16), 2013 | 5 | 2013 |
Exponentially and pre-exponentially correlated Gaussians for atomic quantum calculations KL Sharkey, L Adamowicz The Journal of chemical physics 134 (9), 2011 | 5 | 2011 |
Charge asymmetry and rovibrational excitations of HD+ K Jones, N Kirnosov, KL Sharkey, L Adamowicz Molecular Physics 114 (13), 2052-2073, 2016 | 4 | 2016 |