208 citations · 752 across the 13 of their papers we have counts for
13 papers
eT 2.0: An efficient open-source molecular electronic structure program
Sarai Dery Folkestad, Eirik F. Kjønstad, Alexander C. Paul +34
The eT program is an open-source electronic structure program with emphasis on performance and modularity. As its name suggests, the program features extensive coupled cluster capa…
SpinAdaptedSecondQuantization.jl 1.0 -- A Simple and Pedagogical Approach to Symbolic Quantum Chemistry
Marcus T. Lexander, Tor S. Haugland, Federico Rossi +1
The development of new electronic structure methods is a very time consuming and error prone process when done by hand. SpinAdaptedSecondQuantization is an open-source Julia packag…
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…
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…
Understanding the polaritonic ground state in cavity quantum electrodynamics
Tor S. Haugland, John P. Philbin, Tushar K. Ghosh +3
Molecular polaritons arise when molecules interact so strongly with light that they become entangled with each other. This light-matter hybridization alters the chemical and physic…
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…
Molecular van der Waals fluids in cavity quantum electrodynamics
John P. Philbin, Tor S. Haugland, Tushar K. Ghosh +4
Intermolecular van der Waals interactions are central to chemical and physical phenomena ranging from biomolecule binding to soft-matter phase transitions. However, there are curre…
On the characteristic features of ionization in QED environments
Rosario R. Riso, Tor S. Haugland, Enrico Ronca +1
The ionization of molecular systems is important in many chemical processes such as electron transfer and hot electron injection. Strong coupling between molecules and quantized fi…
Molecular orbital theory in cavity QED environments
Rosario R. Riso, Tor S. Haugland, Enrico Ronca +1
Coupling between molecules and vacuum photon fields inside an optical cavity has proven to be an effective way to engineer molecular properties, in particular reactivity. To ease t…
Strong coupling between localized surface plasmons and molecules by coupled cluster theory
Jacopo Fregoni, Tor S. Haugland, Silvio Pipolo +3
Plasmonic nanocavities enable the confinement of molecules and electromagnetic fields within nano-metric volumes. As a consequence, the molecules experience a remarkably strong int…
Intermolecular interactions in optical cavities: an ab initio QED study
Tor S. Haugland, Christian Schäfer, Enrico Ronca +2
Intermolecular bonds are weak compared to covalent bonds, but they are strong enough to influence the properties of large molecular systems. In this work, we investigate how strong…
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
Tor S. Haugland, Enrico Ronca, Eirik F. Kjønstad +2
We present an ab initio correlated approach to study molecules that interact strongly with quantum fields in an optical cavity. Quantum electrodynamics coupled cluster theory provi…
eT 1.0: an open source electronic structure program with emphasis on coupled cluster and multilevel methods
Sarai D. Folkestad, Eirik F. Kjønstad, Rolf H. Myhre +14
The eT program is an open source electronic structure package with emphasis on coupled cluster and multilevel methods. It includes efficient spin adapted implementations of ground…