N. Dattani

activity

20082023

most citedA general approach to quantum dynamics using a variational master equation: Application to phonon-damped Rabi rotations in quantum dots

153 citations · 729 across the 37 of their papers we have counts for

collaborators

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7 papers · 1 filter

physics.chem-ph2018★ 123 cited

The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations

Zhendong Li, Junhao Li, Nikesh S. Dattani +2

We report that a recent active space model of the nitrogenase FeMo cofactor, proposed in the context of quantum simulations, is not representative of the electronic structure of th…

physics.chem-ph2015★ 3 cited

Analytic potentials and vibrational energies for Li $_{2}$ states dissociating to $\mbox{Li}\left(2S\right)+\mbox{Li}\left(3P\right)$. Part 1: The $^{2 S + 1} Π_{u / g}$ states

Nikesh S. Dattani

Analytic potentials are built for all four $^{2 S + 1} Π_{u / g}$ states of Li $_{2}$ dissociating to Li $(2 S)$ + Li $(3 P)$ : $3 b (3^{3} Π_{u})$ , $3 B (3^{1} Π_{u})$ , $3 C (3^{1} Π_{g}),$ and $3d(3^…

physics.chem-ph2015★ 1 cited

State of the art for ab initio vs empirical potentials for predicting 6e $^{-}$ excited state molecular energies: Application to Li $_{2} (b, 1^{3} Π_{u})$

Nikesh S. Dattani, Robert J. Le Roy

We build the first analytic empirical potential for the most deeply bound $\mbox{Li}_{2}$ state: $b (1^{3} Π_{u})$ . Our potential is based on experimental energy transitio…

physics.chem-ph2014

Why quantum coherence is not important in the Fenna-Matthews-Olsen Complex

David M. Wilkins, Nikesh S. Dattani

We develop and present an improvement to the conventional technique for solving the Hierarchical Equations of Motion which reduces the memory cost by more than 75% while retaining…

physics.chem-ph2014★ 19 cited

Beryllium monohydride (BeH): Where we are now, after 86 years of spectroscopy

Nikesh S. Dattani

BeH is one of the most important benchmark systems for ab initio methods and for studying Born-Oppenheimer breakdown. However the best empirical potential and best ab initio potent…

physics.chem-ph2014★ 1 cited

Global empirical potentials from purely rotational measurements

Nikesh S. Dattani, Lindsay N. Zack, Ming Sun +3

The recent advent of chirped-pulse FTMW technology has created a plethora of pure rotational spectra for molecules for which no vibrational information is known. The growing number…

physics.chem-ph2011★ 37 cited

A DPF analysis yields accurate analytic potentials for Li $_{2} (a^{3} Σ_{u}^{+})$ and Li $_{2} (1^{3} Σ_{g}^{+})$ that incorporate 3-state mixing near the $1^{3} Σ_{g}^{+}$ -state asymptote

Nikesh S. Dattani, Robert J. Le Roy

A combined-isotopologue direct-potential-fit (DPF) analysis of optical and photoassociation spectroscopy data for the $a^{3} Σ_{u}^{+}$ and $1^{3} Σ_{g}^{+}$ states of Li $_{2}$ has yielded a…