Chemistry in high intensity, high frequency laser fields:
An oscillating particle in an oscillating trap has an interesting behaviour. If the trap oscillates faster than the motion of the particle, the particle will not be able to escape from the trap. A realization of such a simple mechanical model is seen in the case of atoms and molecules in high-frequency and high intensity lasers. Using the high intensity laser one would be able to induce hybridizations within the atom or molecule that will generate new chemistry, new bonding effects and stabilization. In a linear polarized CW laser, a single atom in high frequency high intensity laser looks quite different, similar to a diatomic molecule. In our research we will look at the stabilization phenomenon in a laser and design new physico-chemical processes in a laser.
Resonances and autoionizing states of atoms and molecules:
A metastable state is one that lives for a finite period of time before it breaks up into constituent subsystems, or forms a new composite system. Calculating the lifetimes of electronic states of molecules has always been problem of general interest. One of our interests would be to develop new methods and implement existing methods that would calculate the resonance wave function, position and width of the resonance using what are known as complex scaling methods. In particular, we would be interested in applying these to a variety of problems in chemistry.
Properties of atoms and molecules:
Interpretation of structure and bonding information from the 6-N dimensional quantum mechanical electronic wave function is a difficult task. Electron densities, electrostatic potentials and electron momentum densities, which are experimentally measurable and derivable from the calculated wave function can be closely related to several chemical concepts in bonding, reactivity, molecular recognition etc. Apart from the analysis of the wave function we would be interested in a topographical analysis of these relating them to new chemistry.
- P. Balanarayan and Nimrod Moiseyev, Phys. Rev. Lett. 110 253001 (2013)
- P. Balanarayan and Nimrod Moiseyev, Phys. Rev. A 85 032516 (2012)
- D. K. Roy, P. Balanarayan and S. R. Gadre, J. Chem. Phys. 129 174103 (2008)
- P. Balanarayan and S. R. Gadre, J. Amer. Chem. Soc. 128 10702 (2006)
- P. Balanarayan and S. R. Gadre, Inorg. Chem. 44 9614 (2005)