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Journal Articles

Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles

Tobias Dornheim, Panagiotis Tolias, Simon Groth, Zhandos A. Moldabekov, Jan Vorberger, Barak Hirshberg

J. Chem. Phys. 159, 164113 (2023)

https://doi.org/10.1063/5.0171930

Published: October 2023

View article titled, Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles

Journal Articles

On the thermodynamic properties of fictitious identical particles and the application to fermion sign problem

Yunuo Xiong, Hongwei Xiong

J. Chem. Phys. 157, 094112 (2022)

https://doi.org/10.1063/5.0106067

Published: September 2022

View article titled, On the thermodynamic properties of fictitious identical particles and the application to fermion sign problem

Journal Articles

Seemingly asymmetric atom-localized electronic densities following laser-dissociation of homonuclear diatomics

Foudhil Bouakline, Peter Saalfrank

J. Chem. Phys. 154, 234305 (2021)

https://doi.org/10.1063/5.0049710

Published: June 2021

View article titled, Seemingly asymmetric atom-localized electronic densities following laser-dissociation of homonuclear diatomics

Journal Articles

Publisher’s Note: “Non-adiabatic quantum reactive scattering in hyperspherical coordinates” [J. Chem. Phys. 148, 044116 (2018)]

Brian K. Kendrick

J. Chem. Phys. 148, 069902 (2018)

https://doi.org/10.1063/1.5025065

Published: February 2018

View article titled, Publisher’s Note: “Non-adiabatic quantum reactive scattering in hyperspherical coordinates” [J. Chem. Phys. 148, 044116 (2018)]

Journal Articles

Non-adiabatic quantum reactive scattering in hyperspherical coordinates

Brian K. Kendrick

J. Chem. Phys. 148, 044116 (2018)

https://doi.org/10.1063/1.5014989

Published: January 2018

View article titled, Non-adiabatic quantum reactive scattering in hyperspherical coordinates

Journal Articles

Decoupling of translational and rotational diffusion in quasi-2D colloidal fluids

Skanda Vivek, Eric R. Weeks

J. Chem. Phys. 147, 134502 (2017)

https://doi.org/10.1063/1.4996733

Published: October 2017

View article titled, Decoupling of translational and rotational diffusion in quasi-2D colloidal fluids

Journal Articles

Crystalline structures of particles interacting through the harmonic-repulsive pair potential

V. A. Levashov

J. Chem. Phys. 147, 114503 (2017)

https://doi.org/10.1063/1.5002536

Published: September 2017

View article titled, Crystalline structures of particles interacting through the harmonic-repulsive pair potential

Journal Articles

Symmetry and the geometric phase in ultracold hydrogen-exchange reactions

J. F. E. Croft, J. Hazra, N. Balakrishnan, B. K. Kendrick

J. Chem. Phys. 147, 074302 (2017)

https://doi.org/10.1063/1.4998226

Published: August 2017

View article titled, Symmetry and the geometric phase in ultracold hydrogen-exchange reactions

Journal Articles

Implementation of a novel projector-splitting integrator for the multi-configurational time-dependent Hartree approach

Benedikt Kloss, Irene Burghardt, Christian Lubich

J. Chem. Phys. 146, 174107 (2017)

https://doi.org/10.1063/1.4982065

Published: May 2017

View article titled, Implementation of a novel projector-splitting integrator for the multi-configurational time-dependent Hartree approach

Includes: Supplementary data

Journal Articles

Percolation in binary and ternary mixtures of patchy colloids

Felix Seiferling, Daniel de las Heras, Margarida M. Telo da Gama

J. Chem. Phys. 145, 074903 (2016)

https://doi.org/10.1063/1.4960808

Published: August 2016

View article titled, Percolation in binary and ternary mixtures of patchy colloids

Journal Articles

Optimisation of simulations of stochastic processes by removal of opposing reactions

Fabian Spill, Philip K. Maini, Helen M. Byrne

J. Chem. Phys. 144, 084105 (2016)

https://doi.org/10.1063/1.4942413

Published: February 2016

View article titled, Optimisation of simulations of stochastic processes by removal of opposing reactions

Includes: Supplementary data

Journal Articles

Hilbert space renormalization for the many-electron problem

Zhendong Li, Garnet Kin-Lic Chan

J. Chem. Phys. 144, 084103 (2016)

https://doi.org/10.1063/1.4942174

Published: February 2016

View article titled, Hilbert space renormalization for the many-electron problem

Journal Articles

Design strategies for self-assembly of discrete targets

Jim Madge, Mark A. Miller

J. Chem. Phys. 143, 044905 (2015)

https://doi.org/10.1063/1.4927671

Published: July 2015

View article titled, Design strategies for self-assembly of discrete targets

Journal Articles

A configurational study of helium clusters doped with He^∗− and He₂^∗−

Rocío Rodríguez-Cantano, Tomás González-Lezana, Pablo Villarreal, Franco A. Gianturco

J. Chem. Phys. 142, 104303 (2015)

https://doi.org/10.1063/1.4913958

Published: March 2015

View article titled, A configurational study of helium clusters doped with He∗− and He2∗−

Journal Articles

Molecular simulation of fluids with non-identical intermolecular potentials: Thermodynamic properties of 10-5 + 12-6 Mie potential binary mixtures

Thomas Stiegler, Richard J. Sadus

J. Chem. Phys. 142, 084504 (2015)

https://doi.org/10.1063/1.4908530

Published: February 2015

View article titled, Molecular simulation of fluids with non-identical intermolecular potentials: Thermodynamic properties of 10-5 + 12-6 Mie potential binary mixtures

Journal Articles

The shortest-graph method for calculation of the pair-correlation function in crystalline systems

Stanislav O. Yurchenko

J. Chem. Phys. 140, 134502 (2014)

https://doi.org/10.1063/1.4869863

Published: April 2014

View article titled, The shortest-graph method for calculation of the pair-correlation function in crystalline systems

Journal Articles

Unified view on linear response of interacting identical and distinguishable particles from multiconfigurational time-dependent Hartree methods

Ofir E. Alon, Alexej I. Streltsov, Lorenz S. Cederbaum

J. Chem. Phys. 140, 034108 (2014)

https://doi.org/10.1063/1.4860970

Published: January 2014

View article titled, Unified view on linear response of interacting identical and distinguishable particles from multiconfigurational time-dependent Hartree methods

Journal Articles

The stability of S-states of unit-charge Coulomb three-body systems: From H⁻ to H₂⁺

Andrew W. King, Frank Longford, Hazel Cox

J. Chem. Phys. 139, 224306 (2013)

https://doi.org/10.1063/1.4834036

Published: December 2013

View article titled, The stability of S-states of unit-charge Coulomb three-body systems: From H− to H2+

Journal Articles

Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory

Motoyuki Shiga, Marco Masia

J. Chem. Phys. 139, 044120 (2013)

https://doi.org/10.1063/1.4816629

Published: July 2013

View article titled, Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory

Journal Articles

Nonlinear dynamics of spherical particles in Poiseuille flow under creeping-flow condition

S. Reddig, H. Stark

J. Chem. Phys. 138, 234902 (2013)

https://doi.org/10.1063/1.4809989

Published: June 2013

View article titled, Nonlinear dynamics of spherical particles in Poiseuille flow under creeping-flow condition

Includes: Supplementary data

NARROW

Topics

Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles

On the thermodynamic properties of fictitious identical particles and the application to fermion sign problem

Seemingly asymmetric atom-localized electronic densities following laser-dissociation of homonuclear diatomics

Publisher’s Note: “Non-adiabatic quantum reactive scattering in hyperspherical coordinates” [J. Chem. Phys. 148, 044116 (2018)]

Non-adiabatic quantum reactive scattering in hyperspherical coordinates

Decoupling of translational and rotational diffusion in quasi-2D colloidal fluids

Crystalline structures of particles interacting through the harmonic-repulsive pair potential

Symmetry and the geometric phase in ultracold hydrogen-exchange reactions

Implementation of a novel projector-splitting integrator for the multi-configurational time-dependent Hartree approach

Percolation in binary and ternary mixtures of patchy colloids

Optimisation of simulations of stochastic processes by removal of opposing reactions

Hilbert space renormalization for the many-electron problem

Design strategies for self-assembly of discrete targets

A configurational study of helium clusters doped with He^∗− and He₂^∗−

Molecular simulation of fluids with non-identical intermolecular potentials: Thermodynamic properties of 10-5 + 12-6 Mie potential binary mixtures

The shortest-graph method for calculation of the pair-correlation function in crystalline systems

Unified view on linear response of interacting identical and distinguishable particles from multiconfigurational time-dependent Hartree methods

The stability of S-states of unit-charge Coulomb three-body systems: From H⁻ to H₂⁺

Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory

Nonlinear dynamics of spherical particles in Poiseuille flow under creeping-flow condition

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