受强制性开放获取政策约束的文章 - Christof Holzer了解详情
无法在其他位置公开访问的文章：11 篇
Ionized, electron-attached, and excited states of molecular systems with spin–orbit coupling: Two-component GW and Bethe–Salpeter implementations
C Holzer, W Klopper
The Journal of Chemical Physics 150 (20), 2019
强制性开放获取政策： German Research Foundation
An improved seminumerical Coulomb and exchange algorithm for properties and excited states in modern density functional theory
C Holzer
The Journal of Chemical Physics 153 (18), 2020
强制性开放获取政策： Volkswagen Foundation
Assessing the accuracy of local hybrid density functional approximations for molecular response properties
C Holzer, YJ Franzke, M Kehry
Journal of Chemical Theory and Computation 17 (5), 2928-2947, 2021
强制性开放获取政策： German Research Foundation, Volkswagen Foundation
Quasirelativistic two-component core excitations and polarisabilities from a damped-response formulation of the Bethe–Salpeter equation
M Kehry, YJ Franzke, C Holzer, W Klopper
Molecular Physics 118 (21-22), e1755064, 2020
强制性开放获取政策： German Research Foundation
NMR Coupling Constants Based on the Bethe–Salpeter Equation in the GW Approximation
YJ Franzke, C Holzer, F Mack
Journal of Chemical Theory and Computation 18 (2), 1030-1045, 2022
强制性开放获取政策： Volkswagen Foundation
Linear response of current-dependent density functional approximations in magnetic fields
A Pausch, C Holzer
The Journal of Physical Chemistry Letters 13 (19), 4335-4341, 2022
强制性开放获取政策： Volkswagen Foundation
Efficient calculation of magnetic circular dichroism spectra using spin-noncollinear linear-response time-dependent density functional theory in finite magnetic fields
A Pausch, C Holzer, W Klopper
Journal of chemical theory and computation 18 (6), 3747-3758, 2022
强制性开放获取政策： Volkswagen Foundation
Explicitly correlated dispersion and exchange dispersion energies in symmetry-adapted perturbation theory
M Kodrycka, C Holzer, W Klopper, K Patkowski
Journal of Chemical Theory and Computation 15 (11), 5965-5986, 2019
强制性开放获取政策： US National Science Foundation, German Research Foundation
Quasi-relativistic two-component computations of intermolecular dispersion energies
C Holzer, W Klopper
Molecular Physics 115 (21-22), 2775-2781, 2017
强制性开放获取政策： German Research Foundation
The Structure of Diphenyl Ether–Methanol in the Electronically Excited and Ionic Ground States: A Combined IR/UV Spectroscopic and Theoretical Study
D Bernhard, C Holzer, F Dietrich, A Stamm, W Klopper, M Gerhards
ChemPhysChem 18 (24), 3634-3641, 2017
强制性开放获取政策： German Research Foundation
Explicitly-correlated ring-coupled-cluster-doubles theory: Including exchange for computations on closed-shell systems
AS Hehn, C Holzer, W Klopper
Chemical Physics 479, 160-169, 2016
强制性开放获取政策： German Research Foundation
可在其他位置公开访问的文章：41 篇
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations
SG Balasubramani, GP Chen, S Coriani, M Diedenhofen, MS Frank, ...
The Journal of chemical physics 152 (18), 2020
强制性开放获取政策： US National Science Foundation, US Department of Energy, US National …
TURBOMOLE: Today and tomorrow
YJ Franzke, C Holzer, JH Andersen, T Begušić, F Bruder, S Coriani, ...
Journal of chemical theory and computation 19 (20), 6859-6890, 2023
强制性开放获取政策： US National Science Foundation, US Department of Energy, German Research …
Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe–Salpeter Formalism
X Gui, C Holzer, W Klopper
Journal of Chemical Theory and Computation 14 (4), 2127-2136, 2018
强制性开放获取政策： German Research Foundation
Experimental and theoretical determination of dissociation energies of dispersion-dominated aromatic molecular complexes
JA Frey, C Holzer, W Klopper, S Leutwyler
Chemical reviews 116 (9), 5614-5641, 2016
强制性开放获取政策： Swiss National Science Foundation, German Research Foundation
18-Crown-6 coordinated metal halides with bright luminescence and nonlinear optical effects
E Merzlyakova, S Wolf, S Lebedkin, L Bayarjargal, BL Neumeier, ...
Journal of the American Chemical Society 143 (2), 798-804, 2021
强制性开放获取政策： German Research Foundation
The furan microsolvation blind challenge for quantum chemical methods: First steps
HC Gottschalk, A Poblotzki, MA Suhm, MM Al-Mogren, J Antony, AA Auer, ...
The Journal of Chemical Physics 148 (1), 2018
强制性开放获取政策： German Research Foundation, European Commission
Communication: A hybrid Bethe–Salpeter/time-dependent density-functional-theory approach for excitation energies
C Holzer, W Klopper
The Journal of Chemical Physics 149 (10), 2018
强制性开放获取政策： German Research Foundation
The first microsolvation step for furans: New experiments and benchmarking strategies
HC Gottschalk, A Poblotzki, M Fatima, DA Obenchain, C Pérez, J Antony, ...
The Journal of Chemical Physics 152 (16), 2020
强制性开放获取政策： German Research Foundation
Boosting light emission from single hydrogen phthalocyanine molecules by charging
V Rai, L Gerhard, Q Sun, C Holzer, T Repän, M Krstić, L Yang, ...
Nano letters 20 (10), 7600-7605, 2020
强制性开放获取政策： German Research Foundation, Helmholtz Association, Volkswagen Foundation
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