Quantum–Quantum and Quantum–Quantum-Classical Schemes for Near-Gap Excitations with Projection-Based-Embedded GW-Bethe–Salpeter Equation
V Sundaram, B Baumeier - Journal of Chemical Theory and …, 2024 - ACS Publications
We present quantum–quantum and quantum–quantum-classical schemes based on many-
body Green's functions theory in the GW approximation with the Bethe–Salpeter equation …
body Green's functions theory in the GW approximation with the Bethe–Salpeter equation …
The C1s core levels of polycyclic aromatic hydrocarbons and styrenic polymers: A first-principles study
Understanding core level shifts in aromatic compounds is crucial for the correct
interpretation of x-ray photoelectron spectroscopy (XPS) of polycyclic aromatic hydrocarbons …
interpretation of x-ray photoelectron spectroscopy (XPS) of polycyclic aromatic hydrocarbons …
Dissociative photoionization of phenyl triflate, a photoacid generator for photolithography, at 92 eV
V Laffert, FS Sajjadian, R Richter… - The Journal of …, 2024 - pubs.aip.org
The dissociative photoionization of phenyl triflate (C 6 H 5 OSO 2 CF 3), a neutral photoacid
generator used in photolithography, was investigated in a gas phase experiment employing …
generator used in photolithography, was investigated in a gas phase experiment employing …
Electronic polarization effects in core-level spectroscopy
In x-ray photoelectron spectroscopy (XPS), the injected hole interacts with the electronic
polarization cloud induced by the hole itself, ultimately resulting in a lower binding energy …
polarization cloud induced by the hole itself, ultimately resulting in a lower binding energy …
Embedded Many-Body Green's Function Methods for Complex Molecular Systems
Many-body Green's function theory in the GW approximation with the Bethe--Salpeter
equation (BSE) provides a powerful framework for the first-principles calculations of single …
equation (BSE) provides a powerful framework for the first-principles calculations of single …
Embedded Many-Body Green's Function Methods for Electronic Excitations in Complex Molecular Systems
Many-body Green's function theory in the GW approximation with the Bethe--Salpeter
equation (BSE) provides a powerful framework for the first-principles calculations of single …
equation (BSE) provides a powerful framework for the first-principles calculations of single …
Actinic photoemission spectroscopy of litho materials using a table-top ultrafast EUV source
Extreme ultraviolet (EUV) lithography (92 eV) has recently entered logic and memory high-
volume manufacturing to ensure the continuation of Moore's Law into advanced technology …
volume manufacturing to ensure the continuation of Moore's Law into advanced technology …