arXiv subjects

Subhojit Pal

Publications and source records attributed to Subhojit Pal.

5 recordsLinked to original sources

arXiv2026

First-principles electron-phonon scattering in real-time TDDFT

Real-time time-dependent density functional theory provides a first-principles description of coherent electron dynamics in laser-driven solids, but its unitary formulation cannot capture the irreversible scattering, relaxation, and decoherence processes that drive excited carriers toward equilibrium. Here, we develop a dissipative rt-TDDFT framework in which first-principles electron-phonon interactions enter the evolution of the reduced one-body density matrix through self-energy-derived collision integrals within the Born-Markov approximation. The approach retains the quantum-coherent real-time propagation of the electronic system while introducing phonon-mediated transitions that redistribute carriers in energy and crystal momentum, thereby incorporating the microscopic momentum-transfer processes responsible for relaxation in real materials. The resulting framework provides a practical first-principles route to simulate relaxation, decoherence, and time-resolved spectroscopic signatures in realistic crystalline materials.

cond-mat.mtrl-sci↗

arXiv2025

Do 1-dimensional metals prefer to form even-numbered van der Waals clusters ?

Parallel quasi-one-dimensional metals are known to experience strong dispersion (van der Waals, vdW) interactions that fall off unusually slowly with separation between the metals. Examples include nanotube brushes, nano-wire arrays, and also common biological structures. In a many-stranded bundle, there are potentially strong multi-strand vdW interactions that go beyond a simple sum of negative (attractive) pairwise inter-strand energies. Perturbative analysis showed that these contributions alternate in sign, with the odd (triplet, quintuplet, ...) terms being positive (repulsive). The triplet case leds to the intriguing speculation that these strands may prefer to coalesce into even-numbered bundles, which could have implications for the formation kinetics of DNA, for example. Here we use a non-perturbative vdW energy analysis to show that this conjecture is not true in general. As our counter-example we consider 6 strands and show that 2 well-separated bundles of 3 strands have a more negative total vdW energy than 3 well-separated bundles of 2 strands ( i.e. an odd-number preference). We also discuss a bundle of 6 strands and explore the relative contributions beyond pairwise interactions.

cond-mat.mtrl-sci↗

arXiv2024

Attractive and repulsive terms in multi-filament dispersion interactions

Filamentary objects such as nano-wires, nanotubes and DNA are of current interest in physics, nanoscience, chemistry, biology and medicine. They can interact via strong, exceptionally long-ranged many-object van der Waals (vdW, dispersion) forces, causing them to cluster into multi-object bundles. We analyse their vdW interactions perturbatively, predicting $N$-object vdW energy contributions that alternate in sign with increasing $N$. Our findings are confirmed here via the first detailed analysis of a 4-cylinder vdW model. We also provide novel insights permitting these tendencies to be understood simply in terms of electronic screening and anti-screening. Our results suggest that a non-perturbative calculation will be required for reliable prediction of dispersion interactions in these ubiquitous systems.

cond-mat.mtrl-sci↗

arXiv2024

Dispersion Interaction Between Thin Conducting Cylinders

The ground state and excited state resonance dipole-dipole interaction energy between two elongated conducting molecules are explored. We review the current status for ground state interactions. This interaction is found to be of a much longer range than in the case when the molecules are pointlike and nonconducting. These are well known results found earlier by Davies, Ninham, and Richmond, and later, using a different formalism, by Rubio and co-workers. We show how the theory can be extended to excited state interactions. A characteristic property following from our calculation is that the interaction energy dependence with separation ($R$) goes like $f(R)/R^2$ both for resonance and for the van der Waals case in the long range limit. In some limits $f(R)$ has a logarithmic dependency and in others it takes constant values. We predict an unusual slow decay rate for the energy transfer between conducting molecules.

physics.chem-ph↗

arXiv2023

Exact Solutions of Augmented GP Equation: Solitons, Droplets and Supersolid

The augmented nonlinear Schr\"odinger equation (ANLSE), describing BEC, with the Lee-Huang-Yang (LHY) correction has exhibited a quantum droplet state, which has found experimental verification. In addition to the droplet, exact kink-antikink and supersolid phases have been recently obtained in different parameter domains. Interestingly, these solutions are associated with a constant background, unlike the form of BEC in quasi-one dimension, where dark, bright, and grey solitons have been experimentally obtained. Here, we connect a wide class of solutions of the ANLSE with the Jacobi elliptic functions using a fractional transformation method in a general scenario. The conserved energy and momentum are obtained in this general setting which differentiates and characterizes the different phases of the solution space. We then concentrate on the Jacobi-elliptic $dn(x, m^2)$ function, as the same is characterized by a non-vanishing background as compared to the other $cn$ and $sn$ functions.

nlin.PS↗