Dhruba Jyoti Kalita

Use of modified smooth exterior scaling method as an absorbing potential and its application

Here, we propose a new complex path to achieve better absorption during the propagation of a wavepacket. In the proposed modified smooth exterior scaling (SES) method, scaling function, θ(x), has been chosen as a real function rather than complex (as used in a conventional smooth exterior scaling method). It greatly reduces the artificial reflections from the boundary edges. This modified SES method is applied to study the multiphoton dissociation of H(2)(+) in intense laser field. The resonance states are calculated accurately.

Application of smooth exterior scaling method to study the time dependent dynamics of H2+ in intense laser field

A study of the multiphoton dissociation of H(2)(+) in intense laser field using the smooth exterior scaling method to calculate resonance states is presented. This method is very attractive as it does not disturb the interaction region. The wave functions calculated with this method provide indisputable proof in support of the mechanisms of the different phenomena happening during photodissociation. Wave functions corresponding to the vibrationally trapped (bond-hardening) states are found. A unequivocal mechanism for bond-softening is provided. It is observed that with an increase in intensity, the lifetime of low vibrational level increases. The mechanism for this novel phenomenon is also explained.

Application of parametric equations of motion to study the laser induced multiphoton dissociation of H2+ in intense laser field

We have applied parametric equations of motion (PEM) to study photodissociation dynamics of H(2)(+). The resonances are extracted using smooth exterior scaling method. This is the first application of PEM to non-Hermitian Hamiltonian that includes resonances and the continuum. Here, we have studied how the different resonance states behave with respect to the change in field amplitude. The advantage of this method is that one can easily trace the different states that are changing as the field parameter changes.

Novel Isophthalohydrazide-cDB24C8 cryptand derivative for the selective recognition of fluoride ion: An experimental and DFT study

A highly selective and sensitive novel Isophthalohydrazide-cDB24C8 cryptand derivative was developed for fluoride recognition at a very low concentration of 2.31u202f×u202f10-10u202fM. The binding was established by UV-Vis, fluorescence and 1H NMR titration. The receptor formed very strong H-bonded complex with fluoride, furnished a sharp new UV-Vis absorption peak at 280u202fnm which was also supported by the DFT-study. The fluorescence emission spectra showed large quenching up to 79.13% upon addition of fluoride.

Application of smooth exterior scaling method to calculate the high harmonic generation spectra

We have calculated the high harmonic generation spectra from Xe atom by imposing different kinds of absorbing potentials. Owing to the center of inversion of the model system, one should get odd harmonics only. However, using negative imaginary potentials as an absorbing boundary condition, we have also got even order harmonics along with the odd order harmonics. These non-odd order harmonics are generated due to the spurious reflections occurring at the grid boundary. On the contrary, when smooth exterior scaling methods are used as an absorbing boundary condition, only odd order harmonics are obtained. Hence, smooth exterior scaling methods impose proper absorbing boundary condition.

Application of parametric equations of motion to study the resonance coalescence in H2

Recently, occurrence of coalescence point was reported in H(2)(+) undergoing multiphoton dissociation in strong laser field. We have applied parametric equations of motion and smooth exterior scaling method to study the coalescence phenomenon of H(2)(+). The advantage of this method is that one can easily trace the different states that are changing as the field parameters change. It was reported earlier that in the parameter space, only two bound states coalesce [R. Lefebvre, O. Atabek, M. Sindelka, and N. Moiseyev, Phys. Rev. Lett. 103, 123003 (2009)]. However, it is found that increasing the accuracy of the calculation leads to the coalescence between resonance states originating from the bound and the continuum states. We have also reported many other coalescence points.