His primary areas of investigation include Excited state, Atomic physics, Density functional theory, Time-dependent density functional theory and Excitation. His Excited state research is included under the broader classification of Quantum mechanics. In Atomic physics, he works on issues like Charge, which are connected to Resonance and Range.
While the research belongs to areas of Density functional theory, Andreas Dreuw spends his time largely on the problem of Intermolecular force, intersecting his research to questions surrounding Scaling, Dipole, Quantum chemistry and Implicit solvation. His biological study spans a wide range of topics, including Spectral line, Polarization, Spins and Open shell. His Ab initio study incorporates themes from Algorithm and Ab initio quantum chemistry methods.
Andreas Dreuw mainly investigates Excited state, Photochemistry, Atomic physics, Propagator and Molecule. His Excited state research includes elements of Ab initio, Excitation, Density functional theory and Ground state. Andreas Dreuw combines subjects such as Molecular physics and Ab initio quantum chemistry methods with his study of Ab initio.
In his study, which falls under the umbrella issue of Atomic physics, Dipole is strongly linked to Electron. The Propagator study which covers Algebraic number that intersects with Diagrammatic reasoning and Statistical physics. As part of one scientific family, Andreas Dreuw deals mainly with the area of Molecule, narrowing it down to issues related to the Isomerization, and often Azobenzene.
His primary areas of study are Propagator, Excited state, Chemical physics, Dipole and Photochemistry. His Propagator research incorporates elements of Intermediate state, Polarization, Molecular physics and Algebraic number. His research integrates issues of Ab initio, Benzene and Coupled cluster in his study of Excited state.
His research on Dipole also deals with topics like
His scientific interests lie mostly in Propagator, Coupled cluster, Electron, Spectroscopy and Dipole. His research investigates the link between Propagator and topics such as Algebraic number that cross with problems in Diagrammatic reasoning, PySCF, Spectroscopy methods, Hamiltonian and Excitation. His work focuses on many connections between Coupled cluster and other disciplines, such as Ansatz, that overlap with his field of interest in Perturbation theory, Full configuration interaction, Theoretical physics, Expectation value and Excited state.
His work in the fields of Electron, such as Electron affinity, intersects with other areas such as Open-circuit voltage. His study in Spectroscopy is interdisciplinary in nature, drawing from both Intramolecular force, Ultraviolet visible spectroscopy, Density functional theory and Circular dichroism. His Dipole research integrates issues from Chemical physics and Ground state.
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Advances in methods and algorithms in a modern quantum chemistry program package
Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann.
Physical Chemistry Chemical Physics (2006)
Single-reference ab initio methods for the calculation of excited states of large molecules.
Andreas Dreuw;Martin Head-Gordon.
Chemical Reviews (2005)
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert.
Molecular Physics (2015)
Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange
Andreas Dreuw;Jennifer L. Weisman;Martin Head-Gordon.
Journal of Chemical Physics (2003)
The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states
Andreas Dreuw;Michael Wormit.
Wiley Interdisciplinary Reviews: Computational Molecular Science (2015)
OpenMolcas : From Source Code to Insight
Ignacio Fernández Galván;Morgane Vacher;Ali Alavi;Celestino Angeli.
Journal of Chemical Theory and Computation (2019)
New tools for the systematic analysis and visualization of electronic excitations. I. Formalism.
Felix Plasser;Michael Wormit;Andreas Dreuw.
Journal of Chemical Physics (2014)
Multiply charged anions in the gas phase.
Andreas Dreuw;Lorenz S. Cederbaum.
Chemical Reviews (2002)
How much double excitation character do the lowest excited states of linear polyenes have
Jan Hendrik Starcke;Michael Wormit;Jochen Schirmer;Andreas Dreuw.
principles and practice of constraint programming (2006)
New tools for the systematic analysis and visualization of electronic excitations. II. Applications
Felix Plasser;Stefanie A. Bäppler;Michael Wormit;Andreas Dreuw.
Journal of Chemical Physics (2014)
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