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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), 204104, 2020
1302020
Electron electric dipole moment and hyperfine interaction constants for ThO
T Fleig, MK Nayak
Journal of Molecular Spectroscopy 300, 16-21, 2014
702014
Electron electric-dipole-moment interaction constant for HfF from relativistic correlated all-electron theory
T Fleig, MK Nayak
Physical Review A 88 (3), 032514, 2013
472013
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
372015
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
312016
Ab initio calculation of P, T-odd effects in YbF molecule
MK Nayak, RK Chaudhuri
Chemical physics letters 419 (1-3), 191-194, 2006
312006
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
282006
TaN, a molecular system for probing -violating hadron physics
T Fleig, MK Nayak, MG Kozlov
Physical Review A 93 (1), 012505, 2016
262016
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
252006
Enhanced -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), 084303, 2020
232020
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
222015
Ab initio calculation of the electron-nucleus scalar-pseudoscalar interaction constant in heavy polar molecules
MK Nayak, RK Chaudhuri, BP Das
Physical Review A 75 (2), 022510, 2007
222007
Relativistic configuration-interaction study of the nuclear-spin-dependent parity-nonconserving electron-nucleus interaction constant in BaF
MK Nayak, BP Das
Physical Review A 79 (6), 060502, 2009
212009
Theoretical study on the excited states of HCN
MK Nayak, RK Chaudhuri, S Krishnamachari
The Journal of chemical physics 122 (18), 184323, 2005
212005
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), 074110, 2016
202016
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), 124307, 2016
202016
DIRAC, a relativistic ab initio electronic structure program, release DIRAC11
R Bast, T Saue, L Visscher, HJA Jensen, V Bakken, KG Dyall, S Dubillard, ...
192012
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), 084119, 2015
182015
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
172012
Relativistic equation-of-motion coupled-cluster method for the ionization problem: Application to molecules
H Pathak, S Sasmal, MK Nayak, N Vaval, S Pal
Physical Review A 90 (6), 062501, 2014
162014
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
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