Deterministic Optimisation of Jastrow Factors
Fuente:
arXiv
Saved in:
| Main Authors: | Filip, Maria-Andreea, Christlmaier, Evelin M. C., Haupt, J. Philip, Kats, Daniel, Ríos, Pablo López, Alavi, Ali |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Modular Construction of Jastrow Factors for the Transcorrelated Method
by: Haupt, J. Philip, et al.
Published: (2025)
by: Haupt, J. Philip, et al.
Published: (2025)
Transcorrelated Methods Applied to Second Row Elements
by: Filip, Maria-Andreea, et al.
Published: (2024)
by: Filip, Maria-Andreea, et al.
Published: (2024)
Transcorrelated Theory with Pseudopotentials
by: Simula, Kristoffer, et al.
Published: (2024)
by: Simula, Kristoffer, et al.
Published: (2024)
Transcorrelated Methods for Multireference Problems
by: Haupt, J. Philip, et al.
Published: (2025)
by: Haupt, J. Philip, et al.
Published: (2025)
Orbital optimisation in xTC transcorrelated methods
by: Kats, Daniel, et al.
Published: (2024)
by: Kats, Daniel, et al.
Published: (2024)
Nodal error behind discrepancies between coupled cluster and diffusion Monte Carlo in hydrogen-bonded systems
by: Lambie, S., et al.
Published: (2025)
by: Lambie, S., et al.
Published: (2025)
Transcorrelated Theory for Transition Metal Atoms
by: Simula, Kristoffer, et al.
Published: (2025)
by: Simula, Kristoffer, et al.
Published: (2025)
On the applicability of CCSD(T) for dispersion interactions in large conjugated systems
by: Lambie, S., et al.
Published: (2024)
by: Lambie, S., et al.
Published: (2024)
X marks the spot: accurate energies from intersecting extrapolations of continuum quantum Monte Carlo data
by: Hosseini, Seyed Mohammadreza, et al.
Published: (2024)
by: Hosseini, Seyed Mohammadreza, et al.
Published: (2024)
Benchmarking distinguishable cluster methods to platinum standard CCSDT(Q) non covalent interaction energies in the A24 dataset
by: Lambie, S., et al.
Published: (2025)
by: Lambie, S., et al.
Published: (2025)
A Transcorrelated Wave-Function Framework for Solids: An Application to Bulk and Defected Silicon
by: Simula, Kristoffer, et al.
Published: (2025)
by: Simula, Kristoffer, et al.
Published: (2025)
Beyond asymptotic reasoning: the practicalities of a quantum ground state projector based on the wall-Chebyshev expansion
by: Filip, Maria-Andreea, et al.
Published: (2025)
by: Filip, Maria-Andreea, et al.
Published: (2025)
Partial separability of the Schroedinger equation combined with a Jastrow factor
by: Sech, Claude Le, et al.
Published: (2025)
by: Sech, Claude Le, et al.
Published: (2025)
Two Determinant Distinguishable Cluster
by: Schraivogel, Thomas, et al.
Published: (2024)
by: Schraivogel, Thomas, et al.
Published: (2024)
Excited state preparation on a quantum computer through adiabatic light-matter coupling
by: Burton, Hugh G. A., et al.
Published: (2025)
by: Burton, Hugh G. A., et al.
Published: (2025)
Tensor Decomposed Distinguishable Cluster. I. Triples Decomposition
by: Rickert, Charlotte, et al.
Published: (2024)
by: Rickert, Charlotte, et al.
Published: (2024)
Beyond real: Alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers
by: Tkachenko, Nikolay V., et al.
Published: (2025)
by: Tkachenko, Nikolay V., et al.
Published: (2025)
Shallow Electronic State Preparation for Quantum Chemistry with Quantum Monte Carlo Pre-Selection
by: Welling, Eline, et al.
Published: (2026)
by: Welling, Eline, et al.
Published: (2026)
Rapidly convergent quantum Monte Carlo using a Chebyshev projector
by: Zhao, Zijun, et al.
Published: (2024)
by: Zhao, Zijun, et al.
Published: (2024)
Aperiodic defects in periodic solids
by: Lavroff, Robert H., et al.
Published: (2024)
by: Lavroff, Robert H., et al.
Published: (2024)
Ab Initio Transcorrelated Method enabling accurate Quantum Chemistry on near-term Quantum Hardware
by: Dobrautz, Werner, et al.
Published: (2023)
by: Dobrautz, Werner, et al.
Published: (2023)
Application of the aperiodic defect model to a negatively charged monovacancy in phosphorene
by: Rickert, Charlotte, et al.
Published: (2026)
by: Rickert, Charlotte, et al.
Published: (2026)
Basis-free neural-network geminal and Jastrow factors for variational Monte Carlo
by: Kessler, Jan, et al.
Published: (2026)
by: Kessler, Jan, et al.
Published: (2026)
Swarm Intelligence for Chemical Reaction Optimisation
by: Schlama, Rémi, et al.
Published: (2025)
by: Schlama, Rémi, et al.
Published: (2025)
Individual and cooperative superexchange enhancement in cuprates
by: Jiang, Tonghuan, et al.
Published: (2025)
by: Jiang, Tonghuan, et al.
Published: (2025)
Machine learning prediction of a chemical reaction over 8 decades of energy
by: Julian, Daniel, et al.
Published: (2025)
by: Julian, Daniel, et al.
Published: (2025)
Large Differences Between Stochastic and Deterministic Kinetics in a Simple Autocatalytic Reaction Network
by: Bednarek, Tomasz, et al.
Published: (2024)
by: Bednarek, Tomasz, et al.
Published: (2024)
A Deterministic Framework for Neural Network Quantum States in Quantum Chemistry
by: Che, Zheng
Published: (2026)
by: Che, Zheng
Published: (2026)
The physics, travels, and tribulations of Ronald Wilfrid Gurney
by: Pollard, Brian R., et al.
Published: (2025)
by: Pollard, Brian R., et al.
Published: (2025)
Machine learning models for atom-diatom reactions across isotopologues
by: Julian, Daniel, et al.
Published: (2024)
by: Julian, Daniel, et al.
Published: (2024)
Accelerated Development of Multicomponent Alloys in Discrete Design Space Using Bayesian Multi-Objective Optimisation
by: Mamun, Osman, et al.
Published: (2024)
by: Mamun, Osman, et al.
Published: (2024)
Fragment quantum embedding using the Householder transformation: a multi-state extension based on ensembles
by: Cernatic, Filip, et al.
Published: (2024)
by: Cernatic, Filip, et al.
Published: (2024)
The chemistry of AlF and CaF production in buffer gas sources
by: Liu, X., et al.
Published: (2022)
by: Liu, X., et al.
Published: (2022)
A Statistical-Mechanical Model for Dipolar Chain Formation
by: Liang, Zhongqi, et al.
Published: (2026)
by: Liang, Zhongqi, et al.
Published: (2026)
Alignment Transport Between Ultracold Polar Molecules
by: Smucker, Jonathan, et al.
Published: (2024)
by: Smucker, Jonathan, et al.
Published: (2024)
Predicting the Stability of Geopolymer Activator Solutions for Optimised Synthesis through Thermodynamic Modelling
by: Skane, Ramon, et al.
Published: (2025)
by: Skane, Ramon, et al.
Published: (2025)
opt-DDAP: Optimisable density-derived atomic point charges via automatic differentiation
by: H., Mohith, et al.
Published: (2026)
by: H., Mohith, et al.
Published: (2026)
Molecular mechanism of heterogeneous ice nucleation on potassium feldspar
by: Zhou, Wanqi, et al.
Published: (2025)
by: Zhou, Wanqi, et al.
Published: (2025)
A novel non-adiabatic spin relaxation mechanism in molecular qubits
by: Shushkov, Philip
Published: (2024)
by: Shushkov, Philip
Published: (2024)
Factorized Quadruples and a Predictor of Higher-Level Correlation in Thermochemistry
by: Thorpe, James H., et al.
Published: (2024)
by: Thorpe, James H., et al.
Published: (2024)
Similar Items
-
Modular Construction of Jastrow Factors for the Transcorrelated Method
by: Haupt, J. Philip, et al.
Published: (2025) -
Transcorrelated Methods Applied to Second Row Elements
by: Filip, Maria-Andreea, et al.
Published: (2024) -
Transcorrelated Theory with Pseudopotentials
by: Simula, Kristoffer, et al.
Published: (2024) -
Transcorrelated Methods for Multireference Problems
by: Haupt, J. Philip, et al.
Published: (2025) -
Orbital optimisation in xTC transcorrelated methods
by: Kats, Daniel, et al.
Published: (2024)