:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Sech, Claude Le, Sarsa, Antonio
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	https://arxiv.org/abs/2501.11116
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Deterministic Optimisation of Jastrow Factors
by: Filip, Maria-Andreea, et al.
Published: (2025)

Modular Construction of Jastrow Factors for the Transcorrelated Method
by: Haupt, J. Philip, et al.
Published: (2025)

Basis-free neural-network geminal and Jastrow factors for variational Monte Carlo
by: Kessler, Jan, et al.
Published: (2026)

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)

Can the Infamous Boundary Be Found in Macromolecules? Also, von Neumann vs. Schroedinger ensembles, and `Hund's Paradox' in quantum chemistry
by: Wick, W. David
Published: (2025)

Partial ionization cross sections of isobutanol
by: Shanmugasundaram, Suriyaprasanth, et al.
Published: (2025)

Partial Information Decomposition of Electronic Observables Along a Reaction Coordinate
by: Han, Kyunghoon, et al.
Published: (2026)

Range separation of the interaction potential in intermolecular and intramolecular symmetry-adapted perturbation theory
by: Luu, Du, et al.
Published: (2024)

Extending ring polymer molecular dynamics rate theory to reactions with non-separable reactants
by: Li, Chen, et al.
Published: (2025)

MARTINI-based force fields for predicting gas separation performances of MOF/polymer composites
by: Alvares, Cecilia M. S., et al.
Published: (2025)

The generalized method of separation of variables for diffusion-influenced reactions: Irreducible Cartesian tensors technique
by: Traytak, Sergey D.
Published: (2024)

Charge separation at liquid interfaces
by: Majee, Arghya, et al.
Published: (2023)

The impossibility of expanding the square root of the electron density as a linear combination of elements of a complete set of basis functions
by: Akin-Ojo, Omololu
Published: (2018)

Partially polaron-transformed quantum master equation for exciton and charge transport dynamics
by: Jang, Seogjoo J.
Published: (2022)

Partial Auger Decay Widths from Complex-Valued Density Matrices
by: Matz, Florian, et al.
Published: (2025)

Performance of range-separated long-range SOPPA short-range density functional theory method for vertical excitation energies
by: Fuglsbjerg, Juliane H., et al.
Published: (2024)

Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework
by: Delesma, Francisco A., et al.
Published: (2023)

Beyond the Virial Expansion: Microscopic Origins of Partial Molar Volumes in LiCl Solutions
by: Lin, Chun-Ting, et al.
Published: (2026)

Liquid-liquid phase separation of proteins is modulated by amino acids in vitro and in vivo by regulating protein-protein interactions
by: Xu, Xufeng, et al.
Published: (2024)

Nonlinear order separation in two-dimensional electronic spectroscopy quantifies properties of higher-excited states
by: Mayershofer, Katja, et al.
Published: (2026)

Photochemistry upon charge separation in triphenylamine derivatives from fs to $\mathrmμ$s
by: Brockmann, Hendrik J., et al.
Published: (2024)

Can the combination of in situ differential impedance spectroscopy and 27Al NMR detect incongruent zeolite crystallization?
by: Vandenabeele, Dries, et al.
Published: (2024)

Use of multigrids to reduce the cost of performing interpolative separable density fitting
by: Smyser, Kori E., et al.
Published: (2024)

Selectively enabling linear combination of atomic orbital coefficients to improve linear method optimizations in variational Monte Carlo
by: Quady, Trine Kay, et al.
Published: (2025)

Capillary-lubrication force between rotating cylinders separated by a fluid interface
by: Jha, Aditya, et al.
Published: (2024)

Partial Orientation Retrieval of Proteins From Coulomb Explosions
by: André, Tomas, et al.
Published: (2024)

Exact factorization of a many-body wavefunction beyond the electron-nuclear problem
by: Schürger, Peter, et al.
Published: (2026)

Accurate starting points for one-shot $G_0W_0$ and Bethe-Salpeter Equation calculations via effective tuning of range-separated hybrid functionals
by: Singh, Aditi, et al.
Published: (2026)

Network-forming phase separation of oppositely charged polyelectrolytes forming coacervates in a solvent
by: Yuan, Jiaxing, et al.
Published: (2024)

Extending the rotational spectrum of cyclopentadiene towards higher frequencies and vibrational states
by: Bonah, Luis, et al.
Published: (2025)

Molecular details and free energy barriers of ion de-coordination at elevated salinity and pressure and their consequences for membrane separations
by: Schwindt, Nathanael S., et al.
Published: (2025)

Roles of pigment arrangement in light-harvesting phycobiliproteins revealed by recombinant techniques combined with two-dimensional electronic spectroscopy
by: Tsubouchi, Masaaki, et al.
Published: (2026)

On the spectroscopy of phosphaalkynes: Millimeter- and submillimeter wave study of C2H5CP
by: Bonah, Luis, et al.
Published: (2024)

A PEMFC-based combined cooling heating and power (CCHP) system with flexible energy supply: Thermodynamic and economic analyses
by: Wang, Yuanming, et al.
Published: (2026)

The Effective Reactivity for Capturing Brownian Motion by Partially Reactive Patches on a Spherical Surface
by: Grebenkov, Denis S., et al.
Published: (2025)

Deriving the Redfield equation for electronically open molecules
by: Sannes, Bendik Stoa, et al.
Published: (2024)

High-harmonic generation under electronic strong coupling: A time-dependent combined quantum electrodynamics/quantum chemistry study
by: Albrecht, Paul A., et al.
Published: (2025)

Analysis of divergent dynamics of exactly factorized electron-nuclear wavefunctions
by: Stetzler, Julian, et al.
Published: (2025)

Different perspectives on the exact factorization for photon-electron-nuclear systems
by: Magi, Claudia, et al.
Published: (2026)

Exact-factorization-based surface-hopping without velocity adjustment
by: Dupuy, Lucien, et al.
Published: (2024)