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20172025
most citedRecent developments in the PySCF program package

1.2k citations · 2.2k across the 13 of their papers we have counts for

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cond-mat.mes-hall2020★ 3 cited

Fluctuational Electrodynamics in Atomic and Macroscopic Systems: van der Waals Interactions and Radiative Heat Transfer

Prashanth S. Venkataram, Jan Hermann, Alexandre Tkatchenko +1

We present an approach to describing fluctuational electrodynamic (FED) interactions, particularly van der Waals (vdW) interactions as well as radiative heat transfer (RHT), betwee…

cond-mat.mes-hall2018★ 11 cited

Impact of nuclear vibrations on van der Waals and Casimir interactions at zero and finite temperature

Prashanth S. Venkataram, Jan Hermann, Teerit J. Vongkovit +2

Van der Waals (vdW) and Casimir interactions depend crucially on material properties and geometry, especially at molecular scales, and temperature can produce noticeable relative s…

cond-mat.mes-hall2018★ 15 cited

Phonon-polariton mediated thermal radiation and heat transfer among molecules and macroscopic bodies: nonlocal electromagnetic response at mesoscopic scales

Prashanth S. Venkataram, Jan Hermann, Alexandre Tkatchenko +1

Thermal radiative phenomena can be strongly influenced by the coupling of phonons and long-range electromagnetic fields at infrared frequencies. Typically employed macroscopic desc…

cond-mat.mes-hall2017★ 32 cited

Unifying microscopic and continuum treatments of van der Waals and Casimir interactions

Prashanth S. Venkataram, Jan Hermann, Alexandre Tkatchenko +1

We present an approach for computing long-range van der Waals (vdW) interactions between complex molecular systems and arbitrarily shaped macroscopic bodies, melding atomistic trea…