Malaya K. Nayak

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Sourav PalVerified email at splunk.com
Nayana VavalNational Chemical LaboratoryVerified email at ncl.res.in
Sudip SasmalPostdoc at Heidelberg UniversityVerified email at pci.uni-heidelberg.de
Himadri PathakPacific Northwest National Laboratory | PNNLVerified email at pnnl.gov
Kaushik TalukdarAssistant Professor, Department of Chemistry, Bhattadev University, Assam, IndiaVerified email at iitb.ac.in
Timo FleigUniversity of Toulouse III Paul SabatierVerified email at irsamc.ups-tlse.fr
Swapan K. GhoshUM-DAE-Centre for Excellence in Basic Science, University of Mumbai, IndiaVerified email at cbs.ac.in
Stefan KnechtQuantum Chemistry Team Lead @Algorithmiq, Private Docent@ETH Zurich,Verified email at algorithmiq.fi
Hans Jørgen Aagaard JensenDepartment of Physics, Chemistry and Pharmacy; University of Southern DenmarkVerified email at sdu.dk
Andre Severo Pereira GomesCNRS, Universite de Lille, Laboratoire de Physique des Lasers, Atomes et Molécules (UMR8523)Verified email at univ-lille.fr
Morten S. NørbyPost doc., University of Southern DenmarkVerified email at sdu.dk
Mikhail KozlovPetersurg Nuclear Physics InstituteVerified email at pnpi.nrcki.ru
Nataraj HuliyarIIT RoorkeeVerified email at iitr.ac.in
Sudip Kumar ChattopadhyayProfessor (HAG), Department of Chemistry, Indian Institute of Engineering Science and TechnologyVerified email at chem.iiests.ac.in
Tapan GhantyBhabha Atomic Research CentreVerified email at barc.gov.in
Rajat K. ChaudhuriFaculty of Indian Institute of Astrophysics

Malaya K. Nayak

Bhabha Atomic Research Centre

Verified email at barc.gov.in

Relativistic Effects Symmetry Violating Properties Atoms and Molecules


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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	255	2020
Electron electric dipole moment and hyperfine interaction constants for ThO T Fleig, MK Nayak Journal of Molecular Spectroscopy 300, 16-21, 2014	79	2014
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	52	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	46	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	42	2016
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	33	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	31	2006
TaN, a molecular system for probing -violating hadron physics T Fleig, MK Nayak, MG Kozlov Physical Review A 93 (1), 012505, 2016	30	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	28	2006
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
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
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	25	2015
Theoretical study on the excited states of HCN MK Nayak, RK Chaudhuri, S Krishnamachari The Journal of chemical physics 122 (18), 2005	25	2005
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	23	2015
DIRAC, a relativistic ab initio electronic structure program, release DIRAC11 R Bast, T Saue, L Visscher, HJA Jensen, V Bakken, KG Dyall, S Dubillard, ...	23	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 75 (2), 022510, 2007	23	2007
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	21	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	20	2018
DIRAC, a relativistic ab initio electronic structure program, release DIRAC19 ASP Gomes, T Saue, L Visscher, HJA Jensen, R Bast, IA Aucar, V Bakken, ... Zenodo. https://doi. org/10.5281/zenodo 3572669, 2019	19	2019
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	19	2012

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