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Malaya K. Nayak
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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
3242020
Electron electric dipole moment and hyperfine interaction constants for ThO
T Fleig, MK Nayak
Journal of Molecular Spectroscopy 300, 16-21, 2014
852014
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
582013
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
552015
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
502016
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
46*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
452020
TaN, a molecular system for probing -violating hadron physics
T Fleig, MK Nayak, MG Kozlov
Physical Review A 93 (1), 012505, 2016
332016
Ab initio calculation of P, T-odd effects in YbF molecule
MK Nayak, RK Chaudhuri
Chemical physics letters 419 (1-3), 191-194, 2006
322006
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
312006
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC22
HJA Jensen, R Bast, ASP Gomes, T Saue, L Visscher, IA Aucar, V Bakken, ...
DIRAC, 2022
302022
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
292015
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
282016
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
272007
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
262015
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
262006
Theoretical study on the excited states of HCN
MK Nayak, RK Chaudhuri, S Krishnamachari
The Journal of chemical physics 122 (18), 2005
262005
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
252016
DIRAC, a relativistic ab initio electronic structure program, Release DIRAC15
R Bast, T Saue, L Visscher, HJA Jensen, V Bakken, KG Dyall, S Dubillard, ...
252012
Relativistic equation-of-motion coupled-cluster method for the electron attachment problem
H Pathak, S Sasmal, MK Nayak, N Vaval, S Pal
Computational and Theoretical Chemistry 1076, 94-100, 2016
212016
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