Permanent address | Mailing Address |
Agrawal Farm,
Mansarovar
|
Department of Chemistry, |
Jaipur, Rajasthan 302020 | Indian Instite of Technology, Guwahati |
India. | North Guwahati, Assam 781039, India. |
Phone: 0091-141-2395364 | (91)-361-258-2312 |
Fax: | (91)-361 2690762 (Institute) |
Effect of the dense sample of molecules on the harmonic generation: Investigated the harmonic generation of multi-molecular system by solving the coupled Schroedinger and Maxwell equations. The emission enhancement was observed to be an order of four greater than the maximum emission one would expect due to the simple addition of individual emissions. The molecules co-operate to produce higher and higher harmonics. The preceding molecule introduces high frequency component in the propagating field which in turn felt by the following molecule which introduce even higher harmonics in the propagating field and so on.
Auxiliary-Field Monte Carlo method for electronic structure calculation: The full quantum chemistry problem is transformed into an "ensemble" of problems in which the electrons are independent of each other. The transformation is exact.The attractiveness of this approach is its slow scaling of the numerical effort.
Wrote the following routines for efficient propagation of time
dependent Schroedinger equation: split operator propagation routine,
Cheby-chev propagation routine using Bessel functions, routine using
Fourier grid method for the representation of the molecular Hamiltonian
and routine using Floquet theorem.
REFERENCES (available on request)