Projection-based DMRG-in-DFT embedding corrected by non-additive exchange-correlation
Fuente:
arXiv
Saved in:
| Main Authors: | Monino, Enzo, Drwal, Daria, Beran, Pavel, Hapka, Michał, Veis, Libor, Pernal, Katarzyna |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Why Projection-Based DMRG-in-DFT Cannot Be Exact, Even with the Exact Exchange-Correlation Functional
by: Monino, Enzo, et al.
Published: (2026)
by: Monino, Enzo, et al.
Published: (2026)
Theory of scanning tunneling spectroscopy beyond one-electron molecular orbitals: can we image molecular orbitals?
by: Kumar, Manish, et al.
Published: (2025)
by: Kumar, Manish, et al.
Published: (2025)
Copula approach to exchange-correlation hole in many-electron systems with strong correlations
by: Wang, JingChun, et al.
Published: (2022)
by: Wang, JingChun, et al.
Published: (2022)
Natural orbitals and two-particle correlators as tools for analysis of effective exchange couplings in solids
by: Pokhilko, Pavel, et al.
Published: (2023)
by: Pokhilko, Pavel, et al.
Published: (2023)
Wavefunction optimization at the complete basis set limit with Multiwavelets and DMRG
by: Nibbi, Martina, et al.
Published: (2025)
by: Nibbi, Martina, et al.
Published: (2025)
Tensor hypercontraction for self-consistent vertex corrected GW with static and dynamic screening; applications to molecules and solids with superexchange
by: Pokhilko, Pavel, et al.
Published: (2024)
by: Pokhilko, Pavel, et al.
Published: (2024)
Self-consistent vertex corrected $GW$ with static and dynamic screening using tensor hypercontraction: assessment of molecular ionization potentials
by: Wang, Munkhorgil, et al.
Published: (2026)
by: Wang, Munkhorgil, et al.
Published: (2026)
Two-legged approximation for building non-empirical hybrids and analyzing correlation at finite temperature
by: Harding, Brittany P., et al.
Published: (2025)
by: Harding, Brittany P., et al.
Published: (2025)
Breakdown of broken-symmetry approach to exchange interaction
by: Iwahara, Naoya, et al.
Published: (2025)
by: Iwahara, Naoya, et al.
Published: (2025)
Dynamic exchange-correlation effects in the strongly coupled electron liquid
by: Dornheim, Tobias, et al.
Published: (2024)
by: Dornheim, Tobias, et al.
Published: (2024)
Correcting basis set incompleteness in wave function correlation energy by dressing electronic Hamiltonian with an effective short-range interaction
by: Hapka, Michał, et al.
Published: (2025)
by: Hapka, Michał, et al.
Published: (2025)
Compactifying Electronic Wavefunctions I: Error-Mitigated Transcorrelated DMRG
by: Araújo, Bruna G. M., et al.
Published: (2025)
by: Araújo, Bruna G. M., et al.
Published: (2025)
Doubly screened Coulomb correction approach for strongly correlated systems
by: Liu, Bei-Lei, et al.
Published: (2023)
by: Liu, Bei-Lei, et al.
Published: (2023)
Quantum embedding for molecules using auxiliary particles -- The ghost Gutzwiller Ansatz
by: Mejuto-Zaera, Carlos
Published: (2024)
by: Mejuto-Zaera, Carlos
Published: (2024)
Competing quantum effects in spin crossover chains: spin-orbit coupling, magnetic exchange, and elastic interactions
by: Rist, Finnian, et al.
Published: (2024)
by: Rist, Finnian, et al.
Published: (2024)
Optimally Tuned Multiconfigurational Short-Range DFT for Linear Response Properties
by: Hapka, Michał, et al.
Published: (2026)
by: Hapka, Michał, et al.
Published: (2026)
Multi-reference GW approximation for strongly correlated molecules
by: Wang, Yuqi, et al.
Published: (2026)
by: Wang, Yuqi, et al.
Published: (2026)
Spin-adapted neural network backflow for strongly correlated electrons
by: Li, Yunzhi, et al.
Published: (2026)
by: Li, Yunzhi, et al.
Published: (2026)
Configuration interaction extension of AGP for incorporating inter-geminal correlations
by: Kawasaki, Airi, et al.
Published: (2026)
by: Kawasaki, Airi, et al.
Published: (2026)
Low-rank decomposition on the antisymmetric product of geminals for strongly correlated electrons
by: Kawasaki, Airi, et al.
Published: (2024)
by: Kawasaki, Airi, et al.
Published: (2024)
A DMFT approach to evaluate electronic frictional effects near solid surfaces of strongly correlated systems
by: Liu, Yunhao, et al.
Published: (2026)
by: Liu, Yunhao, et al.
Published: (2026)
Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table
by: Hai, G. -Q., et al.
Published: (2024)
by: Hai, G. -Q., et al.
Published: (2024)
A scalable route to first-order response properties with correlated sampling phaseless auxiliary-field quantum Monte Carlo
by: Otis, Leon, et al.
Published: (2025)
by: Otis, Leon, et al.
Published: (2025)
Richardson-Gaudin states of non-zero seniority III: The Perfect-Pairing limit
by: Johnson, Paul A.
Published: (2026)
by: Johnson, Paul A.
Published: (2026)
Accurate bandgaps of photovoltaic kesterites from first-principles DFT+U
by: Burgess, Andrew C., et al.
Published: (2025)
by: Burgess, Andrew C., et al.
Published: (2025)
Dynamic electron correlation energy for multireference wavefunction methods from one- and two-electron reduced density matrices
by: Hapka, Michał, et al.
Published: (2026)
by: Hapka, Michał, et al.
Published: (2026)
Hybrid Quantum-Classical Simulations of Graphene Analogues: Adsorption Energetics Beyond DFT
by: Rayabharam, Archith, et al.
Published: (2025)
by: Rayabharam, Archith, et al.
Published: (2025)
Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/$GW$ and Wave Function Methods
by: Knysh, Iryna, et al.
Published: (2024)
by: Knysh, Iryna, et al.
Published: (2024)
Quantum phase transitions in one-dimensional nanostructures: a comparison between DFT and DMRG methodologies
by: Pauletti, T., et al.
Published: (2024)
by: Pauletti, T., et al.
Published: (2024)
Electronic Correlations in Multiferroic van der Waals CuCrP$_2$S6: Insights From X-Ray Spectroscopy and DFT
by: Guo, Yefei, et al.
Published: (2024)
by: Guo, Yefei, et al.
Published: (2024)
Rigorous screened interactions for realistic correlated electron systems
by: Scott, Charles J. C., et al.
Published: (2023)
by: Scott, Charles J. C., et al.
Published: (2023)
Tensor network influence functionals in the continuous-time limit: connections to quantum embedding, bath discretization, and higher-order time propagation
by: Park, Gunhee, et al.
Published: (2024)
by: Park, Gunhee, et al.
Published: (2024)
Fractal Path Strategies for Efficient 2D DMRG Simulations
by: Bellwood, Oliver R., et al.
Published: (2025)
by: Bellwood, Oliver R., et al.
Published: (2025)
DFT+U+J with linear response parameters predicts non-magnetic oxide band gaps with hybrid-functional accuracy
by: Lambert, Daniel S., et al.
Published: (2021)
by: Lambert, Daniel S., et al.
Published: (2021)
Tensor network state methods and quantum information theory for strongly correlated molecular systems
by: Werner, Miklós Antal, et al.
Published: (2025)
by: Werner, Miklós Antal, et al.
Published: (2025)
Ghost Embedding Bridging Chemistry and One-Body Theories
by: Mejuto-Zaera, Carlos, et al.
Published: (2026)
by: Mejuto-Zaera, Carlos, et al.
Published: (2026)
X-ray Emission Spectropolarimetry of Strongly Anisotropic Single Crystal Systems using a Rowland Circle Geometry
by: Abramson, Jared E., et al.
Published: (2025)
by: Abramson, Jared E., et al.
Published: (2025)
Efficient Optimization of Low-Rank Antisymmetric Product of Geminals Wavefunction Using the Direct Givens Rotation Method
by: Kawasaki, Airi, et al.
Published: (2025)
by: Kawasaki, Airi, et al.
Published: (2025)
Quasiparticle and fully self-consistent GW methods: an unbiased analysis using Gaussian orbitals
by: Harsha, Gaurav, et al.
Published: (2024)
by: Harsha, Gaurav, et al.
Published: (2024)
Combining complex conjugation, time-reversal, and spin symmetry projection of coupled cluster wave functions
by: Song, Ruiheng, et al.
Published: (2024)
by: Song, Ruiheng, et al.
Published: (2024)
Similar Items
-
Why Projection-Based DMRG-in-DFT Cannot Be Exact, Even with the Exact Exchange-Correlation Functional
by: Monino, Enzo, et al.
Published: (2026) -
Theory of scanning tunneling spectroscopy beyond one-electron molecular orbitals: can we image molecular orbitals?
by: Kumar, Manish, et al.
Published: (2025) -
Copula approach to exchange-correlation hole in many-electron systems with strong correlations
by: Wang, JingChun, et al.
Published: (2022) -
Natural orbitals and two-particle correlators as tools for analysis of effective exchange couplings in solids
by: Pokhilko, Pavel, et al.
Published: (2023) -
Wavefunction optimization at the complete basis set limit with Multiwavelets and DMRG
by: Nibbi, Martina, et al.
Published: (2025)