:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Author:	Wang, Cong
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	https://arxiv.org/abs/2508.04635
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Variational free complement method with Gaussian-expanded complement functions: convergence with fixed Gaussian expansion length
by: Wang, Cong
Published: (2026)

General-order open-shell coupled-cluster method with partial spin adaptation I: formulations
by: Wang, Cong
Published: (2024)

General-order open-shell coupled-cluster method with partial-spin adaptation II: further formulations, simplifications, implementations, and numerical results
by: Wang, Cong
Published: (2024)

Variational Adaptive Gaussian Decomposition: Scalable Quadrature-Free Time-Sliced Thawed Gaussian Dynamics
by: Sharma, Rahul, et al.
Published: (2026)

The dawn of alchemical free-energy methods in biomolecular simulations
by: Macuglia, Daniele, et al.
Published: (2025)

Variational time reversal for free energy estimation in nonequilibrium steady states
by: Rosa-Raíces, Jorge L., et al.
Published: (2024)

Greedy Gradient-free Adaptive Variational Quantum Algorithms on a Noisy Intermediate Scale Quantum Computer
by: Feniou, César, et al.
Published: (2023)

Family of Gaussian wavepacket dynamics methods from the perspective of a nonlinear Schrödinger equation
by: Vaníček, Jiří J. L.
Published: (2023)

Multidimensional quantum dynamics with explicitly correlated Gaussian wave packets using Rothe's method
by: Schrader, Simon Elias, et al.
Published: (2024)

Time-dependent Gaussian basis sets for many-body systems using Rothe's method: A mean-field study
by: Schrader, Simon Elias, et al.
Published: (2025)

Variational quantum algorithm for non-Markovian quantum dynamics
by: Walters, Peter L., et al.
Published: (2024)

Variational Vibrational States of Methanol (12D)
by: Sunaga, Ayaki, et al.
Published: (2024)

Qumode-Based Variational Quantum Eigensolver for Molecular Excited States
by: Dutta, Rishab, et al.
Published: (2025)

Variational Quantum Annealing for Quantum Chemistry
by: Yip, Ka-Wa, et al.
Published: (2025)

Gaussians for Electronic and Rovibrational Quantum Dynamics
by: Woźniak, Aleksander P., et al.
Published: (2024)

Hybrid gausslet/Gaussian basis sets
by: Qiu, Yiheng, et al.
Published: (2021)

Quasiparticle and fully self-consistent GW methods: an unbiased analysis using Gaussian orbitals
by: Harsha, Gaurav, et al.
Published: (2024)

An Introduction to Variational Quantum Eigensolver Applied to Chemistry
by: Fonseca, Matheus da S., et al.
Published: (2025)

Non-unitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation
by: Wang, Qiaohong, et al.
Published: (2025)

Spin-free Generalised Normal Ordered Coupled Cluster
by: Lee, Nicholas, et al.
Published: (2025)

Reducing the Cost of Energy Differences in Variational Monte Carlo with Spotlight Sampling
by: Bumann, Sonja, et al.
Published: (2025)

State Specific Measurement Protocols for the Variational Quantum Eigensolver
by: Bincoletto, Davide, et al.
Published: (2025)

Chebyshev Approximated Variational Coupled Cluster for Quantum Computing
by: Erhart, Luca, et al.
Published: (2024)

Compact Gaussian basis sets for stochastic DFT calculations
by: Fabian, Marcel David, et al.
Published: (2025)

On the Specialisation of Gaussian Basis Sets for Core-Dependent Properties
by: Ireland, Robbie T., et al.
Published: (2024)

Decoherence dynamics in molecular qubits: Exponential, Gaussian and beyond
by: Gustin, Ignacio, et al.
Published: (2024)

Selected multi-criteria decision-making methods and their applications to product and system design
by: Wang, Zhiyuan, et al.
Published: (2024)

Spin-free orbital entropy, mutual information, and correlation analysis
by: Pittner, Jiri
Published: (2025)

Computing solvation free energies of small molecules with experimental accuracy
by: Moore, J. Harry, et al.
Published: (2024)

Measurement Reduction in Orbital-Optimized Variational Quantum Eigensolver via Orbital Compression
by: Tao, Yanxian, et al.
Published: (2026)

Free-particle Green's function matrix elements over spherical Gaussian and plane-wave-modulated Gaussian basis functions
by: Mahato, Dibyendu, et al.
Published: (2026)

A Primary Unified Geometric Framework of Molecular Reaction Dynamics Based on the Variational Principle
by: Zhang, Xingyu, et al.
Published: (2026)

Cholesky decomposition in spin-free Dirac-Coulomb coupled-cluster calculations
by: Uhlířová, Tereza, et al.
Published: (2024)

Quantum coherence in molecular dynamics induced by inelastic free electron scattering
by: Kumar, Akshay, et al.
Published: (2022)

The Quantum Ensemble Variational Optimization Algorithm: Applications to Molecular Inverse Design
by: Calcagno, Francesco, et al.
Published: (2025)

Unveiling High Selectivity Origin of Pt-Bi Catalysts for Alkaline Methanol Electrooxidation via CO-free pathway
by: Liang, Lecheng, et al.
Published: (2024)

Prediction of Fluorescence Quantum Yields using the Extended Thawed Gaussian Approximation
by: Wenzel, Michael, et al.
Published: (2023)

Accurate Helium-Benzene Potential: from CCSD(T) to Gaussian Process Regression
by: Akram, Shahzad, et al.
Published: (2026)

Qubit Count Reduction by Orthogonally-Constrained Orbital Optimization for Variational Quantum Excited States Solvers
by: Bierman, Joel, et al.
Published: (2023)

Efficient ensemble uncertainty estimation in Gaussian Processes Regression
by: Christiansen, Mads-Peter Verner, et al.
Published: (2024)