标题
Revealing electronic open quantum systems with subsystem TDDFT
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 144, Issue 12, Pages 124118
出版商
AIP Publishing
发表日期
2016-04-01
DOI
10.1063/1.4944526
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic Structure
- (2015) Tomasz A. Wesolowski et al. CHEMICAL REVIEWS
- Communication: Satisfying fermionic statistics in the modeling of open time-dependent quantum systems with one-electron reduced density matrices
- (2015) Kade Head-Marsden et al. JOURNAL OF CHEMICAL PHYSICS
- Subsystem real-time time dependent density functional theory
- (2015) Alisa Krishtal et al. JOURNAL OF CHEMICAL PHYSICS
- Spectral functions of strongly correlated extended systems via an exact quantum embedding
- (2015) George H. Booth et al. PHYSICAL REVIEW B
- A density functional theory study of Na(H2O)n: an example of the impact of self-interaction corrections
- (2014) Phuong Mai Dinh et al. EUROPEAN PHYSICAL JOURNAL D
- Time-dependent potential-functional embedding theory
- (2014) Chen Huang et al. JOURNAL OF CHEMICAL PHYSICS
- Real-time transport in open quantum systems fromPT-symmetric quantum mechanics
- (2014) Justin E. Elenewski et al. PHYSICAL REVIEW B
- Pseudopotentials for high-throughput DFT calculations
- (2013) Kevin F. Garrity et al. COMPUTATIONAL MATERIALS SCIENCE
- Direct determination of exciton couplings from subsystem time-dependent density-functional theory within the Tamm–Dancoff approximation
- (2013) Carolin König et al. JOURNAL OF CHEMICAL PHYSICS
- On the subsystem formulation of linear-response time-dependent DFT
- (2013) Michele Pavanello JOURNAL OF CHEMICAL PHYSICS
- Density Matrix Embedding: A Strong-Coupling Quantum Embedding Theory
- (2013) Gerald Knizia et al. Journal of Chemical Theory and Computation
- Fragment-Based Time-Dependent Density Functional Theory
- (2013) Martín A. Mosquera et al. PHYSICAL REVIEW LETTERS
- Subsystem density-functional theory
- (2013) Christoph R. Jacob et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Molecular properties via a subsystem density functional theory formulation: A common framework for electronic embedding
- (2012) Sebastian Höfener et al. JOURNAL OF CHEMICAL PHYSICS
- The electronic spectrum of CUONg4 (Ng = Ne, Ar, Kr, Xe): New insights in the interaction of the CUO molecule with noble gas matrices
- (2012) Paweł Tecmer et al. JOURNAL OF CHEMICAL PHYSICS
- First-principles simulation of the absorption bands of fluorenone in zeolite L
- (2012) Xiuwen Zhou et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory
- (2012) Gerald Knizia et al. PHYSICAL REVIEW LETTERS
- Time-dependent density functional theory of open quantum systems in the linear-response regime
- (2011) David G. Tempel et al. JOURNAL OF CHEMICAL PHYSICS
- Embedding vs Supermolecular Strategies in Evaluating the Hydrogen-Bonding-Induced Shifts of Excitation Energies
- (2011) Georgios Fradelos et al. Journal of Chemical Theory and Computation
- Importance of the Intermolecular Pauli Repulsion in Embedding Calculations for Molecular Properties: The Case of Excitation Energies for a Chromophore in Hydrogen-Bonded Environments
- (2011) Georgios Fradelos et al. JOURNAL OF PHYSICAL CHEMISTRY A
- An open-system quantum simulator with trapped ions
- (2011) Julio T. Barreiro et al. NATURE
- Multi-scale modelling of solvatochromic shifts from frozen-density embedding theory with non-uniform continuum model of the solvent: the coumarin 153 case
- (2011) Xiuwen Zhou et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- First-principles calculation of electronic spectra of light-harvesting complex II
- (2011) Carolin König et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- On the nature and signatures of the solvated electron in water
- (2011) B. Abel et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Quantum and classical correlations in the one-dimensionalXYmodel with Dzyaloshinskii-Moriya interaction
- (2011) Ben-Qiong Liu et al. PHYSICAL REVIEW A
- Optical Pumping into Many-Body Entanglement
- (2011) Jaeyoon Cho et al. PHYSICAL REVIEW LETTERS
- Communications: Observation of two classes of isomers of hydrated electrons in sodium-water clusters
- (2010) Richard M. Forck et al. JOURNAL OF CHEMICAL PHYSICS
- A Subsystem TDDFT Approach for Solvent Screening Effects on Excitation Energy Transfer Couplings
- (2010) Johannes Neugebauer et al. Journal of Chemical Theory and Computation
- Modeling Solvatochromic Shifts Using the Orbital-Free Embedding Potential at Statistically Mechanically Averaged Solvent Density
- (2010) Jakub W. Kaminski et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Time-Dependent Density Functional Theory for Open Quantum Systems with Unitary Propagation
- (2010) Joel Yuen-Zhou et al. PHYSICAL REVIEW LETTERS
- Subsystem-Based Theoretical Spectroscopy of Biomolecules and Biomolecular Assemblies
- (2009) Johannes Neugebauer CHEMPHYSCHEM
- On the calculation of general response properties in subsystem density functional theory
- (2009) Johannes Neugebauer JOURNAL OF CHEMICAL PHYSICS
- Dynamically Error-Corrected Gates for Universal Quantum Computation
- (2009) Kaveh Khodjasteh et al. PHYSICAL REVIEW LETTERS
- Chromophore-specific theoretical spectroscopy: From subsystem density functional theory to mode-specific vibrational spectroscopy
- (2009) Johannes Neugebauer PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
- Quantum Drude friction for time-dependent density functional theory
- (2008) Daniel Neuhauser et al. JOURNAL OF CHEMICAL PHYSICS
- Quantum states and phases in driven open quantum systems with cold atoms
- (2008) S. Diehl et al. Nature Physics
- Calculation of local excitations in large systems by embedding wave-function theory in density-functional theory
- (2008) André Severo Pereira Gomes et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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