Current Research Project : Developing gradients for the drude-model. Working with Dr. Ken Jordan.
Previous Research Project : Application of the multiconfigurational spin tensor electron propagator method to molecules.
Ph.D. Reseach Work : Investigation of correlation effects in the formation and decay of electron scattering resonances.
1. M.K.Mishra, M.N.Medikeri, A.Venkatnathan and S.Mahalakshmi, Characterization of shape and Auger resonances using the dilated electron propagator method , Mol.Phys. 94, 127(1998).
2. S.Mahalakshmi and M.K.Mishra, The 2B1 shape resonance in electron-Formaldehyde scattering: An investigation using the dilated electron propagator , Chem. Phys. Lett. 296, 43 (1998).
3. S.Mahalakshmi and M.K.Mishra, Basis set effects in the characterization of electron-molecule scattering resonances using the dilated electron propagator method with application to the 2Øg N2¯ shape resonances , Indian J.Chem A 39A, 22 (2000).
4. A.Venkatnathan, S.Mahalakshmi and M.K.Mishra, Higher order decoupling of the dilated electron propagator with applications to 2P Be-, 2P Mg- shape and 2S Be+ (1s-1 ) Auger resonances , J. Chem. Phys. 114, 35 (2001).
5. S.Mahalakshmi, A.Venkatnathan and M.K.Mishra, Application of higher order decouplings of the dilated electron propagator to 2Øg N2¯ , 2Ø CO¯ and 2Øg C2H2¯ shape resonances , J. Chem. Phys. 115, 4549 (2001).
6. Heryadi, S.Mahalakshmi and D.L.Yeager, The direct determination of the ionization potentials of CH and CH3 using the electron propagator method with a multiconfigurational second-order perturbation theory wavefunction as the initial state (EPCASPT2) , Chem. Phys. Lett. 351, 92 (2002).
7. * S.Mahalakshmi and D.L.Yeager, The determination of low-lying ionization potentials of BN, BN and B N and photodetachment energies of BN and B2 N- using the multiconfigurational spin tensor electron propagator method , Mol.Phys. (Accepted).