88 citations · 131 across the 7 of their papers we have counts for
7 papers
An investigation into the nonconformity of homogeneous gas limit for kinetic energy density of atomic systems
Priya Priya, Anuvab Panda, Saswata Basu +1
Developing a reliable kinetic energy density functional within orbital-free density functional theory remains a long-standing challenge, particularly for atomic and molecular syste…
A new Green's function formalism for kinetic energy density functional for atomic and molecular system: Emergence of dependence using model potentials
Priya, Mainak Sadhukhan
An accurate expression of the kinetic energy density of an electronic distribution in terms of the single particle reduced density matrix for atomic and molecular systems is a long…
Molecular lighting goes less powering
Ranjeev Kumar Parashar, Suchita Kandpal, Prasanta Bandyopadhyay +3
The present era has seen tremendous demands for low-cost electrochromic materials for visible-region multicolor display technology, paper-based, flexible, and wearable electronic d…
Kinetic energy density for open-shell systems: Analysis and development of a novel technique
Priya Priya, Mainak Sadhukhan
The quest for an approximate yet accurate kinetic energy density functional is central to the development of orbital-free density functional theory. While a recipe for closed-shell…
Coulomb Interactions between Dipolar Quantum Fluctuations in van der Waals Bound Molecules and Materials
Martin Stöhr, Mainak Sadhukhan, Yasmine S. Al-Hamdani +2
Mutual Coulomb interactions between electrons lead to a plethora of interesting physical and chemical effects, especially if those interactions involve many fluctuating electrons o…
Quantum-Mechanical Relation between Atomic Dipole Polarizability and the van der Waals Radius
Dmitry V. Fedorov, Mainak Sadhukhan, Martin Stöhr +1
The atomic dipole polarizability, , and the van der Waals (vdW) radius, , are two key quantities to describe vdW interactions between atoms in molecules and materia…
Long-Range Repulsion Between Spatially Confined van der Waals Dimers
Mainak Sadhukhan, Alexandre Tkatchenko
It is an undisputed textbook fact that non-retarded van der Waals (vdW) interactions between isotropic dimers are attractive, regardless of the polarizability of the interacting sy…