The DIRAC code for relativistic molecular calculations T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ... The Journal of chemical physics 152 (20), 2020 | 279 | 2020 |
Electron electric dipole moment and hyperfine interaction constants for ThO T Fleig, MK Nayak Journal of Molecular Spectroscopy 300, 16-21, 2014 | 80 | 2014 |
Electron electric-dipole-moment interaction constant for HfF from relativistic correlated all-electron theory T Fleig, MK Nayak Physical Review A—Atomic, Molecular, and Optical Physics 88 (3), 032514, 2013 | 55 | 2013 |
Theoretical study on ThF+, a prospective system in search of time-reversal violation M Denis, MS Nørby, HJA Jensen, ASP Gomes, MK Nayak, S Knecht, ... New Journal of Physics 17 (4), 043005, 2015 | 48 | 2015 |
Relativistic coupled-cluster study of RaF as a candidate for the parity-and time-reversal-violating interaction S Sasmal, H Pathak, MK Nayak, N Vaval, S Pal Physical Review A 93 (6), 062506, 2016 | 44 | 2016 |
Eye gaze patterns associated with aggressive tendencies in adolescence C Laue, M Griffey, PI Lin, K Wallace, M Van Der Schoot, P Horn, ... Psychiatric quarterly 89, 747-756, 2018 | 42* | 2018 |
Enhanced P, T-violating nuclear magnetic quadrupole moment effects in laser-coolable molecules M Denis, Y Hao, E Eliav, NR Hutzler, MK Nayak, RGE Timmermans, ... The Journal of Chemical Physics 152 (8), 2020 | 38 | 2020 |
Ab initio calculation of P, T-odd effects in YbF molecule MK Nayak, RK Chaudhuri Chemical physics letters 419 (1-3), 191-194, 2006 | 32 | 2006 |
TaN, a molecular system for probing -violating hadron physics T Fleig, MK Nayak, MG Kozlov Physical Review A 93 (1), 012505, 2016 | 31 | 2016 |
Ab initio calculation of P, T-odd interaction constant in BaF: a restricted active space configuration interaction approach MK Nayak, RK Chaudhuri Journal of Physics B: Atomic, Molecular and Optical Physics 39 (5), 1231, 2006 | 29 | 2006 |
Implementation of the -vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule S Sasmal, H Pathak, MK Nayak, N Vaval, S Pal Physical Review A 91 (3), 030503, 2015 | 28 | 2015 |
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC12 HJA Jensen, R Bast, T Saue, L Visscher, V Bakken, KG Dyall, S Dubillard, ... University of Southern Denmark, 2012 | 26 | 2012 |
Ab initio calculation of the electron-nucleus scalar-pseudoscalar interaction constant in heavy polar molecules MK Nayak, RK Chaudhuri, BP Das Physical Review A—Atomic, Molecular, and Optical Physics 75 (2), 022510, 2007 | 26 | 2007 |
Relativistic coupled cluster method: Excitation and ionization energies of Sr and Yb atom MK Nayak, RK Chaudhuri The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 2006 | 26 | 2006 |
Theoretical study on the excited states of HCN MK Nayak, RK Chaudhuri, S Krishnamachari The Journal of chemical physics 122 (18), 2005 | 26 | 2005 |
Search for parity and time reversal violating effects in HgH: Relativistic coupled-cluster study S Sasmal, H Pathak, MK Nayak, N Vaval, S Pal The Journal of Chemical Physics 144 (12), 2016 | 25 | 2016 |
Calculation of P, T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework S Sasmal, H Pathak, MK Nayak, N Vaval, S Pal The Journal of Chemical Physics 143 (8), 2015 | 25 | 2015 |
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC15 R Bast, T Saue, L Visscher, HJA Jensen, V Bakken, KG Dyall, S Dubillard, ... | 24 | 2012 |
Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: Application to ionization potential H Pathak, S Sasmal, MK Nayak, N Vaval, S Pal The Journal of chemical physics 145 (7), 2016 | 23 | 2016 |
DIRAC a relativistic ab initio electronic structure program, Release DIRAC19 ASP Gomes, T Saue, L Visscher, HJA Jensen, R Bast, A Aucar, V Bakken, ... Zenodo, 3572669, 2019 | 20 | 2019 |