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 |
Computational and photoelectron spectroscopic study of the dipole-bound anions, indole (H2O) 1, 2− AM Buytendyk, AM Buonaugurio, SJ Xu, JM Nilles, KH Bowen, N Kirnosov, ... The Journal of Chemical Physics 145 (2), 2016 | 13 | 2016 |
Accurate dipole moment curve and non-adiabatic effects on the high resolution spectroscopic properties of the LiH molecule LG Diniz, N Kirnosov, A Alijah, JR Mohallem, L Adamowicz Journal of Molecular Spectroscopy 322, 22-28, 2016 | 11 | 2016 |
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 |
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 |
Lifetimes of rovibrational levels of N Kirnosov, KL Sharkey, L Adamowicz Physical Review A 89 (1), 012513, 2014 | 5 | 2014 |
Configuration and energy landscape of the benzonitrile anion N Kirnosov, L Adamowicz Chemical Physics Letters 676, 32-38, 2017 | 4 | 2017 |
Charge asymmetry and rovibrational excitations of HD+ K Jones, N Kirnosov, KL Sharkey, L Adamowicz Molecular Physics 114 (13), 2052-2073, 2016 | 4 | 2016 |
Nuclear–nuclear correlation function from non-Born–Oppenheimer calculations of diatomic rovibrational states with total angular momentum equal to two (N= 2). Charge asymmetry in HD K Jones, M Formanek, R Mazumder, N Kirnosov, L Adamowicz Molecular Physics 114 (10), 1634-1643, 2016 | 4 | 2016 |
Analytical energy gradient used in variational Born-Oppenheimer calculations with all-electron explicitly correlated Gaussian functions for molecules containing one π electron WC Tung, M Pavanello, KL Sharkey, N Kirnosov, L Adamowicz The Journal of chemical physics 138 (12), 2013 | 3 | 2013 |
Ortho–para nuclear-spin isomerization energies for all bound vibrational states of ditritium (T2) from non-Born–Oppenheimer variational calculations performed with explicitly … N Kirnosov, KL Sharkey, L Adamowicz Chemical Physics Letters 640, 61-67, 2015 | 1 | 2015 |
Direct non-Born-Oppenheimer variational calculations of all bound vibrational states corresponding to the first rotational excitation of D2 performed with explicitly correlated … KL Sharkey, N Kirnosov, L Adamowicz The Journal of Chemical Physics 142 (17), 2015 | 1 | 2015 |
Computational and photoelectron spectroscopic study of the dipole-bound anions, indole (H₂O) ₁, ₂⁻ AM Buytendyk, AM Buonaugurio, SJ Xu, JM Nilles, KH Bowen, N Kirnosov, ... AMER INST PHYSICS, 2016 | | 2016 |
Challenges and advances in calculations of highly non-adiabatic systems employing the explicitly correlated Gaussian functions N Kirnosov APS March Meeting Abstracts 2015, B23. 003, 2015 | | 2015 |
Para–ortho isomerization of H2+. Non-Born–Oppenheimer direct variational calculations with explicitly correlated all-particle Gaussian functions N Kirnosov, KL Sharkey, L Adamowicz Chemical Physics Letters 621, 134-140, 2015 | | 2015 |
Advances in modeling of physical systems using explicitly correlated Gaussian functions N Kirnosov The University of Arizona, 2015 | | 2015 |