activity
20152026
most citedRecent developments in the PySCF program package

1.2k citations · 2.7k across the 32 of their papers we have counts for

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Showing 2023Show all

6 papers · 1 filter

quant-ph2023★ 30 cited

Collective Strong Coupling Modifies Aggregation and Solvation

Matteo Castagnola, Tor S. Haugland, Enrico Ronca +2

Intermolecular interactions are pivotal for aggregation, solvation, and crystallization. We demonstrate that the collective strong coupling of several molecules to a single optical…

physics.chem-ph2023

Strong coupling to circularly polarized photons: towards field-induced enantioselectivity

Rosario R. Riso, Enrico Ronca, Henrik Koch

The development of new methodologies for the selective synthesis of individual enantiomers is still one of the major challenges in synthetic chemistry. Many biomolecules, and there…

physics.chem-ph2023

Coupled cluster cavity Born-Oppenheimer approximation for electronic strong coupling

Sara Angelico, Tor S. Haugland, Enrico Ronca +1

Chemical and photochemical reactivity, as well as supramolecular organization and several other molecular properties, can be modified by strong interactions between light and matte…

cond-mat.str-el2023★ 18 cited

Two-Dimensional Moiré Polaronic Electron Crystals

Eric A. Arsenault, Yiliu Li, Birui Yang +12

Two-dimensional moiré materials have emerged as the most versatile platforms for realizing quantum phases of electrons. Here, we explore the stability origins of correlated states…

physics.chem-ph2023

Polaritonic response theory for exact and approximate wave functions

Matteo Castagnola, Rosario R. Riso, Alberto Barlini +2

Polaritonic chemistry is an interdisciplinary emerging field that presents several challenges and opportunities in chemistry, physics, and engineering. A systematic review of polar…

physics.chem-ph2023★ 19 cited

Effective single mode methodology for strongly coupled multimode molecular-plasmon nanosystems

Marco Romanelli, Rosario R. Riso, Tor S. Haugland +3

Strong coupling between molecules and quantized fields has emerged as an effective methodology to engineer molecular properties. New hybrid states are formed when molecules interac…