Cover Image

Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Yuan, Xiang, Halbert, Loic, Pototschnig, Johann, Papadopoulos, Anastasios, Coriani, Sonia, Visscher, Lucas, Gomes, Andre Severo Pereira
Format:	Preprint
Published:	2023
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Frequency-Dependent Quadratic Response Properties and Two-photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory
by: Yuan, Xiang, et al.
Published: (2023)

A Comparison of Relativistic Coupled Cluster and Equation of Motion Coupled Cluster Quadratic Response Theory
by: Yuan, Xiang, et al.
Published: (2025)

Current Density Formulation of Nuclear Magnetic Shielding and Magnetizability Tensors in Paramagnetic Molecules in the Presence of Relativistic Effects
by: Summa, Francesco Ferdinando, et al.
Published: (2026)

Velocity Formulations for Hyper-Rayleigh Scattering Optical Activity Spectroscopy: Addressing the Origin-dependence Problem
by: Bonvicini, Andrea, et al.
Published: (2026)

Generating coupled cluster code for modern distributed memory tensor software
by: Brandejs, Jan, et al.
Published: (2024)

Relativistic Embedded Equation-of-Motion Coupled-Cluster Approach to the Core-Ionized States of Actinides: A Case Study of Uranyl(VI) in Cs$_2$UO$_2$Cl$_4$
by: Misael, Wilken Aldair, et al.
Published: (2024)

Orbital-Optimized Unitary Coupled Cluster for Indirect Nuclear Spin-Spin Coupling Constants within a Quantum Linear Response Framework
by: Fuglsbjerg, Juliane H., et al.
Published: (2025)

Report on the second Toulouse Tensor Workshop
by: Brandejs, Jan, et al.
Published: (2026)

Efficient Implementation of Relativistic Coupled Cluster Linear Response Theory in Combination with Perturbation Sensitive Natural Spinors and Cholesky Decomposition Treatment of Two-electron Integrals
by: Chakraborty, Sudipta, et al.
Published: (2026)

A GPU-accelerated Nonlinear Branch-and-Bound Framework for Sparse Linear Models
by: Meng, Xiang, et al.
Published: (2026)

GPU-accelerated Linear Algebra for Coupled Solvers in Industrial CFD Applications with OpenFOAM
by: Oliani, Stefano, et al.
Published: (2024)

Diagrammatic Simplification of Linearized Coupled Cluster Theory
by: Carter-Fenk, Kevin
Published: (2025)

Chemical Interpretation of Time-Dependent Coupled-Cluster Theory
by: Krishnan, Aparna, et al.
Published: (2026)

Time-Dependent Coupled-Cluster Theory of Multireference Systems
by: Mosquera, Martín A.
Published: (2025)

Reseña de "Arsenio Rodríguez and the Transnational Flows of Latin Popular Music" de David F. Garcia
by: Halbert Barton
Published: (2009)

The Metascholar Initiative: AmericanSouth.Org and MetaArchive.Org.
by: Halbert, Martin
Published: (2003)

A Challenge For Puerto Rican Music: How To Build A Soberao For Bomba
by: Halbert Barton
Published: (2004)

Beyond the Dailey-Townes model: chemical information from the electric field gradient
by: Fabbro, G., et al.
Published: (2024)

GPU-Portable Real-Space Density Functional Theory Implementation on Unified-Memory Architectures
by: Ito, Atsushi M.
Published: (2025)

Highly Accurate Expectation Values Using High-Order Relativistic Coupled Cluster Theory
by: Fabbro, Gabriele, et al.
Published: (2025)

Communication-reduced Conjugate Gradient Variants for GPU-accelerated Clusters
by: Bernaschi, Massimo, et al.
Published: (2025)

¿Son las arritmias un predictor de mortalidad en pacientes holguineros con esclerosis sistémica?
by: Halbert Hernández-Negrín
Published: (2017)

Using Multiple Cause-of-Death Analysis to Estimate Systemic Autoimmune Disease Mortality Burden in Low- and Middle-Income Countries
by: Halbert Hernández-Negrín
Published: (2021)

La paradoja de la investigación científica estudiantil de las ciencias médicas en Cuba
by: Halbert Hernández-Negrín
Published: (2017)

Data for "Extending Atom-Atom Polarizabilities to Frequency-Dependent Coupled Cluster and MCSCF Response"
by: Mikkelsen, Jonas, et al.
Published: (2026)

Implementation of the multigrid Gaussian-Plane-Wave algorithm with GPU acceleration in PySCF
by: Li, Rui, et al.
Published: (2026)

Quantitative Formulation of Frequency-Dependent Average Force in AM-AFM
by: Umeda, Kenichi, et al.
Published: (2024)

Theory and reality in public international law / Charles de Visscher ; translated from the french by P. E. Corbett
by: Visscher, Charles de

A Study of Performance Programming of CPU, GPU accelerated Computers and SIMD Architecture
by: Yi, Xinyao
Published: (2024)

Time‐Dependent Vibrational Coupled Cluster Theory With Static and Dynamic Basis Functions
by: Mads Greisen Højlund, et al.
Published: (2025)

Transformer Based Linear Attention with Optimized GPU Kernel Implementation
by: Gerami, Armin, et al.
Published: (2025)

GPU Implementation of Second-Order Linear and Nonlinear Programming Solvers
by: Montoison, Alexis, et al.
Published: (2025)

An Exact Invariant for Relativistic Linear Harmonic Oscillator with Time-dependent Frequency
by: Shivamoggi, Bhimsen, et al.
Published: (2024)

Unravelling Size‐Dependent and Coupled Properties in Mechanical Metamaterials: A Couple‐Stress Theory Perspective
by: Shahin Eskandari, et al.
Published: (2024)

Formulation of Relativistic Dissipative Spin Hydrodynamics
by: Daher, Asaad
Published: (2025)

Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster Theory
by: Szenes, Kalman, et al.
Published: (2025)

Time-Dependent Relativistic Two-Component Equation-of-Motion Coupled-Cluster for Open-Shell Systems: TD-EA/IP-EOMCC
by: Pathirage, P. D. Varuna S., et al.
Published: (2026)

Weakly Supervised Food Image Segmentation using Vision Transformers and Segment Anything Model
by: Sarafis, Ioannis, et al.
Published: (2025)

Core-Excited States of Linear and Bent Uranyl Complexes: Insights from High-Energy Resolution X-ray Spectroscopy and Relativistic Quantum Chemistry
by: Misael, Wilken Aldair, et al.
Published: (2025)

Frequency Dependent Polarizability for 1D Periodic Systems at Coupled Cluster with Single and Double Excitations Level
by: Caricato, Marco, et al.
Published: (2025)