Monografie
Efficient Novel Approaches for the Calculation of Molecular Response Properties : Second-Order Many-Body Perturbation and Double-Hybrid Density Functional Theory
- Sprache
-
Englisch
- Anmerkungen
-
Bonn, Rheinische Friedrich-Wilhelms-Universität Bonn, Diss., 2011
- Identifier
-
1044082984
Thema
Quantenchemie; Hochschulschrift
Beteiligte Personen und Organisationen
Koßmann, Simone
- URN
- Rechteinformation
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Letzte Aktualisierung
-
26.01.2023, 13:53 MEZ
Objekttyp
- Monografie
Beteiligte
- Koßmann, Simone
Ähnliche Objekte (12)
Efficient novel approaches for the calculation of molecular response properties : second-order many-body perturbation and double-hybrid density functional theory
Interference-corrected explicitly-correlated second-order perturbation theory
Development of Efficient and Accurate Approximations to Single Reference Correlation Methods using Pair Natural Orbitals
Application of many-body perturbation theory to the description of correlated metals
Implementation, development and assessment of local hybrid density functionals
The Limited Expansion of Diatomic Overlap Density Functional Theory (LEDO-DFT): Development and Implementation of Algorithms, Optimization of Auxiliary Orbitals and Benchmark Calculations
Orbital functionals in time dependent density functional theory
Density functional approaches for the interaction of metal oxides with small molecules
Accurate redox potentials of transition metal complexes calculated using density functional theory and electrostatics
Prediction of Exchange Coupling Constants with Density Functional Theory and Molecular Mechanics
Novel Approaches in Quantum Chemistry : Self-Consistent Density-Functional Embedding and Polaritonic Coupled-Cluster Theory
Development, Benchmarking, and Applications of Efficient Theoretical Approaches for the Calculation of Excited States in Organic Systems
Efficient novel approaches for the calculation of molecular response properties : second-order many-body perturbation and double-hybrid density functional theory
Interference-corrected explicitly-correlated second-order perturbation theory
Development of Efficient and Accurate Approximations to Single Reference Correlation Methods using Pair Natural Orbitals
Application of many-body perturbation theory to the description of correlated metals
Implementation, development and assessment of local hybrid density functionals
The Limited Expansion of Diatomic Overlap Density Functional Theory (LEDO-DFT): Development and Implementation of Algorithms, Optimization of Auxiliary Orbitals and Benchmark Calculations
Orbital functionals in time dependent density functional theory
Density functional approaches for the interaction of metal oxides with small molecules
Accurate redox potentials of transition metal complexes calculated using density functional theory and electrostatics
Prediction of Exchange Coupling Constants with Density Functional Theory and Molecular Mechanics
Novel Approaches in Quantum Chemistry : Self-Consistent Density-Functional Embedding and Polaritonic Coupled-Cluster Theory
Development, Benchmarking, and Applications of Efficient Theoretical Approaches for the Calculation of Excited States in Organic Systems
Efficient novel approaches for the calculation of molecular response properties : second-order many-body perturbation and double-hybrid density functional theory
Interference-corrected explicitly-correlated second-order perturbation theory
Development of Efficient and Accurate Approximations to Single Reference Correlation Methods using Pair Natural Orbitals
Application of many-body perturbation theory to the description of correlated metals
Implementation, development and assessment of local hybrid density functionals
The Limited Expansion of Diatomic Overlap Density Functional Theory (LEDO-DFT): Development and Implementation of Algorithms, Optimization of Auxiliary Orbitals and Benchmark Calculations
Orbital functionals in time dependent density functional theory
Density functional approaches for the interaction of metal oxides with small molecules
Accurate redox potentials of transition metal complexes calculated using density functional theory and electrostatics
Prediction of Exchange Coupling Constants with Density Functional Theory and Molecular Mechanics
Novel Approaches in Quantum Chemistry : Self-Consistent Density-Functional Embedding and Polaritonic Coupled-Cluster Theory