I am officially retired and no longer accept graduate students or postdoctoral fellows.
Some recent and some recurring themes
in my research include
- determination of accurate properties of molecules; see, for example:
Construction of constrained dipole oscillator strength distributions.
A. J. Thakkar.
Z. Phys. Chemie, 230, 633-650 (2016).
- a wide variety of methodological issues; see, for example:
How well do static electronic dipole polarizabilities from gas-phase experiments compare with
density functional and MP2 computations?
A. J. Thakkar and T. Wu.
J. Chem. Phys., 143, 144302 (2015).
- mapping the energy landscapes of hydrogen-bonded clusters; see, for
example:
How Can One Locate the Global Energy Minimum for Hydrogen-Bonded Clusters?
S. Kazachenko and A. J. Thakkar.
Practical Aspects of Computational Chemistry IV, pp. 25-55 (2016).
- probing the electron momentum density perspective as an alternative to the
electron number (charge) density usually used; see, for example:
Molecular size from moments of the momentum density.
S. A. Blair and A. J. Thakkar.
Chem. Phys. Lett., 609, 113-116 (2014).