List of Publications
Deepak Kumar, Ashish Kumar Gupta*, Self-Consistent Field Solution for Anions: Effect of the Removal of Pseudo-Continuum States, Theor. Chem. Acc. (2026), (Accepted)
Deepak Kumar, Hrishikesh Rajbongshi, Ashish Kumar Gupta*, Resonance Energies from Complex Absorbing Potentials: A Complex Basis Function Approach in the η → 0 + Limit, Phys. Chem. Chem. Phys. (2026) https://doi.org/10.1039/D6CP02831D
Deepak Kumar, Ashish Kumar Gupta*, Calculating resonance using parametric equations of motion in the limit of complex absorbing potential strength parameter→ 0+,Phys. Rev. A 114, 012818 (2026).DOI: https://doi.org/10.1103/kq8w-d3pg
Deepak Kumar, Hrishikesh Rajbongshi, Aditya Gupta, Ashish Kumar Gupta*, Calculating Resonance position and lifetime using MSES for piecewise 1-D potentials, R. Soc. Open Sci. 1 August 2026; 13 (8): 260685. DOI: https://doi.org/10.1098/rsos.260685
Hrishikesh Rajbongshi, Deepak Kumar, Mwdansar Banuary, Ashish Kumar Gupta*, Shape Resonances in Silane and Fluorinated silanes, Phys. Chem. Chem. Phys., 28, 13673-13679 (2026). DOI: 10.1039/D6CP01268J
Mwdansar Banuary, Ashish Kumar Gupta, Zohar Amitay, Nimrod Moiseyev*, Suppression of Reaction Rates via Photon Emission under Laseror Dark Cavity Coupling: O2+ 2NO→ 2NO2 as an Example, J. Phys. B: At. Mol. Opt. Phys. 59 045201 (2026). DOI 10.1088/1361-6455/ae43a6
Deepak Kumar, Ashish Kumar Gupta*, Application of parametric equations of motion to study uracil anion, J. Chem. Phys. 163, 014103 (2025). DOI: https://doi.org/10.1063/5.0277968
Deepak Kumar, Ashish Kumar Gupta*, Self-consistent-field solution for unstable anions, Phys. Rev. A 110, 062821 (2024). DOI: https://doi.org/10.1103/PhysRevA.110.062821
Deepak Kumar, Ashish Kumar Gupta*, A unique approach to address avoided crossings in the charge stabilization curve for LUMO identification, J. Chem. Phys. 161, 094108 (2024). DOI: https://doi.org/10.1063/5.0225287
Deepak Kumar, Mwdansar Banuary, Ashish Kumar Gupta*, An Innovative Approach for Precise Identification of the Lowest Unoccupied Molecular Orbital Using the Parametric Equation of Motion, J. Chem. Theory Comput., 20, 14, 6009–6019 (2024). DOI: https://doi.org/10.1021/acs.jctc.4c00470
Mwdansar Banuary, Deepak Kumar, Ashish Kumar Gupta*, Use of the dilated electron propagator in conjunction with the modified smooth exterior scaling method to characterize 2 S Be+(1s− 1), 2 S Ne+(1s− 1) Auger and 2 P Be− shape resonances, New J. Chem. 48, 4772-4782 (2024). DOI: 10.1039/D3NJ04908F
Mwdansar Banuary, Ashish Kumar Gupta*, Application of Modified Smooth Exterior Scaling Method to Study 2Πg N2– and 2Π CO– Shape Resonances, ACS omega 8 (7), 7143-7150 (2023). DOI: https://doi.org/10.1021/acsomega.3c00033
Dhruba J Kalita, Ashish Kumar Gupta*, Application of smooth exterior scaling method to calculate the high harmonic generation spectra, J. Chem. Phys. 138, 074313 (2013). DOI: https://doi.org/10.1063/1.4792146
Dhruba J Kalita, Ashish Kumar Gupta*, Application of parametric equations of motion to study the resonance coalescence in H2+, J. Chem. Phys. 137, 214315 (2012). DOI: https://doi.org/10.1063/1.4769403
Rajeev Mishra, Dhruba J. Kalita, and Ashish Kumar Gupta*, Breakdown of Dipole Approximation and its effect on High Harmonic Generation, Euro. Phys. J. D, 66, 169 (2012). DOI: 10.1140/epjd/e2012-20750-0
Nimrod Moiseyev* and Ashish Kumar Gupta, Distinguishing between aligned and randomly oriented polar molecules by using a combination of strong laser field with a weak static field, Molecular Physics, 110(15–16), 1721–1728 (2012). DOI: https://doi.org/10.1080/00268976.2012.674565
Dhruba J. Kalita and Ashish Kumar Gupta*, Study of laser-induced multiphoton dissociation of H+ as a function of the field frequency using parametric equations of motion, Phys. Rev. A, 85, 033413 (2012). DOI: https://doi.org/10.1103/PhysRevA.85.033413
Dhruba J Kalita, Akshay Rao, Ishir Rajvanshi, and Ashish Kumar Gupta*, Application of parametric equations of motion to study the laser induced multiphoton dissociation of H+ in intense laser field., J. Chem. Phys., 134 , 224309 (2011). DOI: https://doi.org/10.1063/1.3598516
D. J. Kalita and Ashish Kumar Gupta*, Use of Modified Smooth Exterior Scaling Method as an Absorbing Potential ans its Application, J. Chem. Phys., 134, 094301 (2011). DOI: https://doi.org/10.1063/1.3558737
D. J. Kalita and Ashish Kumar Gupta*, Application of smooth exterior scaling method to study the time dependent dynamics of H+ in intense laser field, J. Chem. Phys., 133, 134303 (2010). DOI: https://doi.org/10.1063/1.3489347
Ashish Gupta and N. Moiseyev*, Trapping of molecules by highly rotational excitations, Chem. Phys., 338, 113, (2007). DOI: https://doi.org/10.1016/j.chemphys.2007.04.026
A. Fleischer, Ashish Kumar Gupta, and N. Moiseyev*, Dynamical symmetry analysis of ionization and harmonic generation of atoms in bichromatic laser pulses, Int. J. Quantum Chem., 103, 824 (2005). DOI: https://doi.org/10.1002/qua.20541
Ioan Bâldea,* Ashish K. Gupta, Lorenz S. Cederbaum, and Nimrod Moiseyev, High Harmonic Generation by Quantum-Dot Nanorings, Phys. Rev. B 69, 245311 (2004). DOI: https://doi.org/10.1103/PhysRevB.69.245311
Ashish Kumar Gupta*, O. E. Alon and N. Moiseyev, Generation and control of high-order harmonics by the interaction of microwave/infrared laser with a thin graphite layer, Phys. Rev. B 68, 205101 (2003). DOI: https://doi.org/10.1103/PhysRevB.68.205101
Ashish K. Gupta and D. Neuhauser*, Rabi-Oscillations Induced Multiharmonic Emission in a Maxwell-Schroedinger Study of a Dense Sample of Molecules, International J. Quant. Chem. 81, 260 (2001). DOI: https://doi.org/10.1002/1097-461X(2001)81:4<260::AID-QUA3>3.0.CO;2-M
N. Rom, E. Fattal, Ashish K. Gupta, E. A. Carter and D. Neuhauser*, Shifted-contour auxiliary-field Monte Carlo for molecular electronic structure, J. Chem. Phys. 109, 8241–8248 (1998). DOI: https://doi.org/10.1063/1.477486
Ashish K. Gupta and D. Neuhauser*, Control of harmonic generation by initial-state preparation, Chem. Phys. Letts, 290, 543 (1998). DOI: https://doi.org/10.1016/S0009-2614(98)00554-5
Ashish K. Gupta, P. Gross, D. B. Bairagi and M. K. Mishra, Laser Control of Population Dynamics with Bichromatic Fields - Direct Search Through Field Amplitude, Frequency, and Phase space, Chem. Phys. Letts, 257, 658 (1996). DOI: https://doi.org/10.1016/0009-2614(96)00571-4
P. gross, Ashish K. Gupta, D. B. Bairagi and M. K. Mishra, Initial State Laser Control of Curve-Crossing Reactions Using the Rayleigh-Ritz Variational Procedure, J. Chem. Phys. 104, 7045 (1996). DOI: 10.1063/1.471421
D. B. Bairagi, Ashish K. Gupta, P Gross and M. K. Mishra, Investigation of Photodynamics in Intense Laser Fields Using the Fourier Grid Floquet Propagator with Applications to and LiH, J. Mol. Struct. THEOCHEM, 361, 69 (1996). DOI: https://doi.org/10.1016/0166-1280(95)04304-7
P. Gross, Ashish Gupta, D. B. Bairagi and M. K. Mishra, An Efficient Method for Determining Quantum Dynamics in Strong Fields by Integrating through Amplitude and Frequency Parameter Space, Chem. Phys. Letts, 236, 8 (1995). DOI: https://doi.org/10.1016/0009-2614(95)00196-B