Copertina

X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Repisky, Michal, Komorovsky, Stanislav, Konecny, Lukas, Kadek, Marius, Moitra, Torsha, Joosten, Marc, Misenkova, Debora, Vikhamar-Sandberg, Rasmus, Kaupp, Martin, Ruud, Kenneth, Malkina, Olga L., Malkin, Vladimir G.
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Chemical Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Efficient Boys function evaluation using minimax approximation
di: Vikhamar-Sandberg, Rasmus, et al.
Pubblicazione: (2025)

Light-Induced Persistent Electronic Chirality in Achiral Molecules Probed with Time-Resolved Electronic Circular Dichroism Spectroscopy
di: Moitra, Torsha, et al.
Pubblicazione: (2025)

Electric-field gradients at the nuclei from all-electron, four-component relativistic density-functional theory using Gaussian-type orbitals
di: Joosten, Marc, et al.
Pubblicazione: (2024)

Newton optimization for the Multiconfiguration Self Consistent Field method at the basis set limit: closed-shell two-electron systems
di: Dinvay, Evgueni, et al.
Pubblicazione: (2025)

Real-Time Time-Dependent Density Functional Theory for Pump-Probe Spectroscopies
di: Moitra, Torsha
Pubblicazione: (2026)

Linear-Response Quantum-Electrodynamical Density Functional Theory Based on Two-Component X2C Hamiltonians
di: Konecny, Lukas, et al.
Pubblicazione: (2025)

Toward Accurate RIXS Spectra at Heavy Element Edges: A Relativistic Four-Component and Exact Two-Component TDDFT Approach
di: Konecny, Lukas, et al.
Pubblicazione: (2026)

Nursing as Part of Care for the Poor in Slovak Villages in the First Half of the 20th Century
di: Konečný, Stanislav
Pubblicazione: (2025)

Daň z nehnuteľnosti v Slovenskej republike a v Spolkovej republike Nemecko
di: Konečný, Stanislav
Pubblicazione: (2015)

Hyperfine rovibrational states of H$_3^+$ in a weak external magnetic field
di: Avila, Gustavo, et al.
Pubblicazione: (2024)

Unified Nonlinear Architecture (UNA) Volume IV Adaptive Survivability, Informational Geometry, and Complexity Dynamics
di: Kaupp, Alexander
Pubblicazione: (2026)

Nonlinear Economics and Civilization Dynamics Operator-Theoretic Foundations of Economic Instability, Financial Amplification, and Planetary System Dynamics
di: Kaupp, Alexander
Pubblicazione: (2026)

Resolvent-Based Stability Criterion for Non-Normal Systems via the Kaupp Number
di: Kaupp, Alexander
Pubblicazione: (2026)

Extracting efficient exact real number computation from proofs in constructive type theory
di: Konečný, Michal, et al.
Pubblicazione: (2022)

Formalizing Hyperspaces and Operations on Subsets of Polish spaces over Abstract Exact Real Numbers
di: Konečný, Michal, et al.
Pubblicazione: (2024)

SpectR: Dynamically Composing LM Experts with Spectral Routing
di: Fleshman, William, et al.
Pubblicazione: (2025)

PowerSpectR: An R Package for Radial Power Spectrum Estimation
di: de Souza, Rafael S.
Pubblicazione: (2026)

Singular Port-Hamiltonian Systems Beyond Passivity
di: Sandberg, Henrik, et al.
Pubblicazione: (2026)

The Z4DP Whitebook: A Unified Framework of Elastic Superfluid Vacuum Mechanics
di: Konečný, Pavel
Pubblicazione: (2026)

Z4DP VII: Detection of Extraterrestrial Biosignatures - Methodology of Phase Resonance Analysis and Planetary Vortices in a Superfluid Vacuum
di: Konečný, Pavel
Pubblicazione: (2026)

Phase Hydrodynamics of the Continuum: An Alternative View on Planetary System Formation within the Z4DP Ontology
di: Konečný, Pavel
Pubblicazione: (2026)

Structure learning of Hamiltonians from real-time evolution
di: Bakshi, Ainesh, et al.
Pubblicazione: (2024)

Learning quantum Hamiltonians at any temperature in polynomial time
di: Bakshi, Ainesh, et al.
Pubblicazione: (2023)

How Badly Does India Need Biologics for Severe Asthma?
di: Subhabrata Moitra, et al.
Pubblicazione: (2025)

SafeSpect: Safety-First Augmented Reality Heads-up Display for Drone Inspections
di: Xu, Peisen, et al.
Pubblicazione: (2025)

SpectMamba: Integrating Frequency and State Space Models for Enhanced Medical Image Detection
di: Wang, Yao, et al.
Pubblicazione: (2025)

Duality-Invariant Higher-Derivative Corrections to Charged Stringy Black Holes
di: Moitra, Upamanyu
Pubblicazione: (2026)

Heterotic Black Holes in Duality-Invariant Formalism
di: Moitra, Upamanyu
Pubblicazione: (2025)

Newton vs. Coulomb in AdS/CFT and the Weak Gravity Conjecture
di: Moitra, Upamanyu
Pubblicazione: (2023)

Lumos Extrema
di: Moitra, Upamanyu
Pubblicazione: (2024)

MORPHOLOGICAL STUDY OF FEMORAL NUTRIENT FORAMINA: IMPLICATIONS FOR VASCULAR SUPPLY AND SURGICAL PRACTICE
di: Santoso, Kadek Wira Putra
Pubblicazione: (2026)

Local‐Hybrid Functional With a Composite Local Mixing Function Built From a Neural Network and a Strong‐Correlation Model
di: Artur Wodyński, et al.
Pubblicazione: (2026)

Should We Expect Further Acceleration of the Earth's Rotation in the Coming Years?
di: Malkin, Zinovy
Pubblicazione: (2024)

Improving source positions in the OCARS catalog: A first approach
di: Malkin, Zinovy
Pubblicazione: (2025)

On computation of a common mean
di: Malkin, Zinovy
Pubblicazione: (2011)

Simple approximations of some statistical functions
di: Malkin, Zinovy
Pubblicazione: (2026)

A new equal-area isolatitudinal grid on a spherical surface
di: Malkin, Zinovy
Pubblicazione: (2019)

Application of the Allan Variance to Time Series Analysis in Astrometry and Geodesy: A Review
di: Malkin, Zinovy
Pubblicazione: (2016)

Evolution of the radio source position uncertainties in radio astrometric catalogs over the past three decades
di: Malkin, Zinovy
Pubblicazione: (2025)

On the Use of Vector Spherical Harmonics
di: Malkin, Zinovy
Pubblicazione: (2024)