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- Computations of the Band Structure and Linear Optical Properties of Methylammonium Bismuth
- Development of Full Configuration Interaction Quantum Monte Carlo
- A Review of Density Functional Models for the Description of Fe(II) Spin-Crossover Complexes
- The Breathing Orbital Valence Bond Method in Diffusion Monte Carlo: C-H Bond Dissociation of Acetylene
- A Valence Bond Model for Electron-Rich Hypervalent Species: Application to SF N( N =1, 2, 4), PF 5 , and Clf 3 Benoît Braïda, Tristan Ribeyre, Philippe C
- Quantum Monte Carlo Simulations of Solids
- Numerical Studies of Disordered Tight-Binding Hamiltonians
- Introduction to Electronic Correlation
- CHEM3023: Spins, Atoms and Molecules Lecture 9
- Electronic Correlation Effects in Transition Metal Systems: from Bulk Crystals to Nanostructures
- Software Development for Integrating Molpro with Newton-X for Adiabatic and Non-Adiabatic Excited State Dynamics
- New Concepts and Developments in Density Functional Theory and Beyond - I Monday 10:30–13:00 GER 38
- A Quantum Chemical Definition of Electron-Nucleus Correlation Patrick Cassam-Chenaï, Bingbing Suo, Wenjian Liu
- Tight-Binding Description of the Quasiparticle Dispersion of Graphite and Few-Layer Graphene
- Electron Correlation Effects in Cobalt Fluorides Cofn
- Introduction to Computational Chemistry
- A Perspective from Quantum Monte Carlo
- Charge Transport, Configuration Interaction and Rydberg States
- First Principles Quantum Monte Carlo Study of Correlated Electronic Systems
- Reprint (Pdf File)
- Exact-Exchange Kohn-Sham Spin-Current Density Functional
- Theoretical Approaches for Studying Astrochemistry D
- Discovering Correlated Fermions Using Quantum Monte Carlo
- Benchmark of GW Approaches for the GW100 Testset
- Introduction to Electronic Structure Methods
- Correlated Geminal Wave Function for Molecules:An Efficient Resonating Valence Bond Approach Michele Casula, Claudio Attaccalite, and Sandro Sorella
- Towards a Formal Definition of Static and Dynamic Electronic Correlations Cite This: Phys
- Efficient Reconstruction of CASCI-Type Wave Functions for a DMRG State
- Applications of Quantum Monte Carlo Methods in Condensed Systems
- Role of Electron-Phonon Scattering in the Relaxation of Hot Carriers at Surfaces
- Weak and Strong Correlations in Iron Superconductors
- Coupled Cluster Theory in Materials Science
- Electronic Transport in Metallic Systems and Generalized Kinetic Equations
- Extending the Random-Phase Approximation for Electronic Correlation Energies: the Renormalized Adiabatic Local Density Approximation
- Implementing DFT+U and Its Use for Simulating Polarons in Oxide
- Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit
- Auxiliary-Field Quantum Monte Carlo for Correlated Electron Systems
- Effect of Electronic Correlation on Molecules Adsorbed on Metallic Surfaces Dimitra Xenioti
- Coupled-Cluster in Real Space: CC2 Correlation and Excitation Energies Using Multiresolution Analysis
- Density Functional Model for Nondynamic and Strong Correlation
- Introduction to Computational Quantum Chemistry: Theory
- Quantum Monte Carlo for Accurate Energies and Materials Design Kayahan Saritas
- Quantum Monte Carlo Methods for Electronic Structure Calculations : Application to Hydrogen at Extreme Conditions Vitaly Gorelov
- Hartree, Hartree-Fock and Post-HF Methods
- Arxiv:1911.05569V3
- Methods for Treating E Tron Orre Ation