Author

A. Ruzsinszky

2 papers indexed here

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Preprint Oct 2026

Is there a density-gradient expansion for the electronic exchange energy?

An old but recurring question in ground-state density functional theory, relevant to the construction of density functional approximations, is the existence of a second-order gradient expansion for the exchange energy that is exact for densities that vary slowly over space. Here we will argue that there is such an expa...

J. Perdew, Timo Lebeda, R. Maniar et al. · 1 citation · ⚡1

Preprint Sep 2026

Balanced and broadly-normed meta-generalized gradient approximation

Conventional semi-local density functional approximations for the exchange-correlation energy systematically underestimate fundamental band gaps. Advanced meta-generalized gradient approximations (meta-GGAs) can partially overcome this limitation through their orbital dependence via the kinetic energy density. In princ...

Yan-Yong Wang, Chandra Shahi, J. Perdew et al. · 1 citation