An exact quantum Monte Carlo calculation of the helium-helium intermolecular potential

No abstract is available for this paper.

• Publication year

  1993

• Venue

  Journal of Chemical Physics

• Publication date

  1993-07-01

• Fields of study

  Physics, Chemistry

• Identifiers
  DOI 10.1063/1.465812
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• Benchmark calculations with correlated molecular wave functions. V. The determination of accurate abinitio intermolecular potentials for He2, Ne2, and Ar2

  1994cited by this paper
• Response to "Comment on 'The Weakest Bond: Experimental Observation of Helium Dimer'"

  1993cited by this paper
• Mo/ller–Plesset perturbation investigation of the He2 potential and the role of midbond basis functions

  1992cited by this paper
• Quantum chemistry by random walk: Higher accuracy for H+3

  1992cited by this paper
• Quantum chemistry by random walk: Exact treatment of many-electron systems

  1991cited by this paper
• An examination of ab initio results for the helium potential energy curve

  1991cited by this paper
• Accurate First Principles Calculation of Many-Body Interactions

  1991cited by this paper
• An Analysis of the ITS-90 Relations for the Non-Ideality of 3He and 4He: Recommended Relations Based on a New Interatomic Potential for Helium

  1990cited by this paper
• Convergence to the configuration‐set limit in multireference configuration‐interaction calculations on the He dimer

  1990cited by this paper
• The interacting correlated fragments model for weak interactions, basis set superposition error, and the helium dimer potential

  1989cited by this paper
• An accurate calculation of the first-order interaction energy for the helium dimer

  1989cited by this paper
• On the connection between the supermolecular Møller-Plesset treatment of the interaction energy and the perturbation theory of intermolecular forces

  1988cited by this paper
• An accurate ab initio calculation of the He2 potential curve

  1988cited by this paper
• A new determination of the ground state interatomic potential for He2

  1987cited by this paper
• Applicability of the supermolecule MP2 approach to intermolecular interactions: He2 and Ne2

  1987cited by this paper
• Intraatomic correlation effects for the He–He dispersion and exchange–dispersion energies using explicitly correlated Gaussian geminals

  1987cited by this paper
• THE BASIS SET SUPERPOSITION ERROR IN CORRELATED ELECTRONIC STRUCTURE CALCULATIONS

  1986cited by this paper
• The He2 potential at small distances

  1986cited by this paper
• A CEPA2 investigation of the He-He and He-Li+ potential functions

  1986cited by this paper
• Two-centre calculation of dispersion coefficients

  1985cited by this paper
• Variational calculations on the helium isoelectronic sequence

  1984cited by this paper
• Unique determination of the He2 ground state potential from experiment by use of a reliable potential model

  1982cited by this paper
• Green’s function Monte Carlo for few fermion problems

  1982cited by this paper
• The possibility of a 4He2 bound state, effective range theory, and very low energy He–He scattering

  1982cited by this paper
• Monte Carlo calculation of the Born-Oppenheimer potential between two helium atoms

  1980cited by this paper
• Abinitio potential curve for Be2(1Σg+) from the interacting correlated fragments method

  1980cited by this paper
• An accurate intermolecular potential for helium

  1979cited by this paper
• Configuration interaction calculations of the helium pair potential including CI superposition corrections

  1979cited by this paper
• The computation of intermolecular forces with Gaussian basis functions. Illustration with He2

  1977cited by this paper
• On the multipole structure of exchange dispersion energy in the interaction of two helium atoms

  1977cited by this paper
• Ghost orbitals and the basis set extension effects

  1976cited by this paper
• Quantum chemistry by random walk. H 2P, H+3D3h1A′1, H23Σ+u, H41Σ+g, Be 1S

  1976cited by this paper
• On the exchange polarization effects in the interaction of two helium atoms

  1976cited by this paper
• Attractive well of He–He from 3He–4He differential elastic scattering measurements

  1976cited by this paper
• Ramsauer-Townsend effect in the total cross section of ^{4}He + ^{4}He and ^{3}He + ^{3}He

  1976cited by this paper
• Symmetry adapted perturbation theory of intermolecular potentials. The helium–helium interaction

  1975cited by this paper
• Polarizability of interacting atoms: relation to collision-induced light scattering and dielectric models

  1973cited by this paper
• Accurate calculation of the attractive interaction of two ground state helium atoms

  1973cited by this paper
• Ab initio calculation of the helium‐helium X1Σg+ potential at intermediate and large separations. II. Changes in intra‐atomic correlation energy

  1973cited by this paper
• Observation of the atomic Ramsauer—townsend effect in 4He4He scattering

  1973cited by this paper
• EVIDENCE FOR DIFFERENT INTERACTION POTENTIALS FOR $sup 4$He--$sup 4$He AND $sup 3$He--$sup 3$He FROM SCATTERING CROSS-SECTION MEASUREMENTS.

  1972cited by this paper
• Low‐Energy Repulsive Interaction Potential for Helium

  1972cited by this paper
• He4-He4 interaction potential from low energy total cross section measurements

  1972cited by this paper
• Intermolecular Potentials from Crossed Beam Differential Elastic Scattering Measurements. V. The Attractive Well of He2

  1972cited by this paper
• Interatomic correlation energy and the van der Waals attraction between two helium atoms

  1971cited by this paper
• Monte-Carlo solution of Schrödinger's equation☆

  1971cited by this paper
• Calculation of the Attractive He Pair Potential

  1970cited by this paper
• Intermolecular Potentials from Crossed Beam Differential Elastic Scattering Measurements. III. He+He and Ne+Ne

  1970cited by this paper
• Semiempirical Helium Intermolecular Potential. II. Dilute Gas Properties

  1970cited by this paper
• The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

  1970cited by this paper
• AB INITIO CALCULATION OF THE HELIUM--HELIUM $sup 1$$Sigma$/sub g/$sup +$ POTENTIAL AT INTERMEDIATE AND LARGE SEPARATIONS.

  1970cited by this paper
• He–He Interaction in the SCF–MO Approximation

  1968cited by this paper
• Absolute total collision cross sections for Maxwellian beams of H2 and He scattered by room temperature H2 and He

  1968cited by this paper
• A new interatomic potential function for helium

  1968cited by this paper
• Semiempirical Potential and Bound State of the Helium−4 Diatom

  1967cited by this paper
• Total Scattering Cross Sections of Hydrogen and Deuterium by Helium

  1967cited by this paper
• Ground‐State Potential of He2

  1967cited by this paper
• Interaction Energy of Two Ground‐State Helium Atoms at Small Internuclear Distances

  1967cited by this paper
• Single‐Configuration Wavefunctions and Potential Curves for the Ground States of He2, Ne2, and Ar2

  1967cited by this paper
• THE He--He POTENTIAL ENERGY IN THE REGION OF THE VAN DER WAALS MINIMUM.

  1967cited by this paper
• Scattering of High‐Velocity Neutral Particles. XIV. He–He Interaction below 1.1 Å

  1967cited by this paper
• INTERMOLECULAR-POTENTIAL-ENERGY CURVES: THEORY AND CALCULATIONS ON THE HELIUM-HELIUM POTENTIAL

  1966cited by this paper
• Variational calculations of long-range forces

  1966cited by this paper
• Long‐Range Interaction of Helium Atoms. A. Calculations

  1966cited by this paper
• Measurements of Absolute Total Cross Sections for Rare‐Gas Scattering

  1965cited by this paper
• REPULSIVE INTERACTION BETWEEN TWO GROUND-STATE HELIUM ATOMS

  1962cited by this paper
• GROUND STATE OF THE HELIUM ATOM

  1962cited by this paper
• Monte Carlo Calculations of the Ground State of Three- and Four-Body Nuclei

  1962cited by this paper
• Total Collision Cross Sections for Scattering of Thermal Beams of Hydrogen, Hydrogen Atoms, and Helium by Hydrogen and Helium

  1962cited by this paper
• Über die Wechselwirkung zweier Heliumatome

  1962cited by this paper
• Scattering of High‐Velocity Neutral Particles. XI. Further Study of the He–He Potential

  1961cited by this paper
• Studies in Molecular Structure. IV. Potential Curve for the Interaction of Two Helium Atoms in Single‐Configuration LCAO MO SCF Approximation

  1961cited by this paper
• Energy of Interaction of Two Helium Atoms

  1960cited by this paper
• The Interaction between Two Normal Helium Atoms : A Consistent Treatment

  1958cited by this paper
• A Second Order Calculation of the Energy of Interaction between Two Normal Helium Atoms

  1958cited by this paper
• He-He Repulsive Potential, I

  1956cited by this paper
• Studies of the Interaction between Stable Molecules and Atoms. II. Interaction between Two He Atoms

  1955cited by this paper
• Quantum Theory of Molecules and Solids

  1951cited by this paper
• The Repulsive Potential of Normal Helium Atoms

  1950cited by this paper
• Van der Waals Potential in Helium

  1939cited by this paper
• Quantum-mechanical calculation of the second virial-coefficient of helium at low temperatures

  1939cited by this paper
• The Van Der Waals Forces in Gases

  1931cited by this paper
• Calculation of Interaction between Atoms with s-Electrons

  1931cited by this paper
• Wechselwirkung zwischen einem H- und einem He-Atom und zwischen zwei He-Atomen

  1930cited by this paper
• Zur Theorie und Systematik der Molekularkräfte

  1930cited by this paper
• Über das Verhältnis der van der Waalsschen Kräfte zu den homöopolaren Bindungskräften

  1930cited by this paper
• The Normal State of Helium

  1928cited by this paper

• Meta-GGA that describes weak interactions in addition to bond energies and band gaps

  2025cites this paper
• Ab Initio Calculation of Fluid Properties for Precision Metrology

  2023cites this paper
• Phonon and Optical-roton Branches of Excitations of the Bose System

  2022cites this paper
• The development of a full range analytical interatomic potential.

  2020cites this paper
• Approaching averaged binary potential field from compressibility factor

  2019cites this paper
• Isotropic Site-Site Dispersion Potential Constructed Using Quantum Chemical Calculations and a Geminal Auxiliary Basis Set

  2019cites this paper
• Pendular alignment and strong chemical binding are induced in helium dimer molecules by intense laser fields

  2018cites this paper
• Spectrum of elementary excitations of the Bose system with allowance for pair correlations

  2018cites this paper
• Dynamics of Bose-Einstein condensate with account of pair correlations

  2017cites this paper
• Infrared Laser Spectroscopy of Salt-Solvent Complexes using Helium Nanodroplets

  2017cites this paper
• Noncovalent Interactions by Quantum Monte Carlo.

  2016cites this paper
• Does DFT-SAPT method provide spectroscopic accuracy?

  2015cites this paper
• The self-consistent field model for Fermi systems with account of three-body interactions

  2015cites this paper
• The equation of state and the quasiparticle mass in the degenerate Fermi system with an effective interaction

  2015cites this paper
• Thermodynamic Perturbation Theory for Classical Systems Based on Self-Consistent Field Model

  2015cites this paper
• Fonctions de Fukui : un outil pour l'étude de la réactivité chimique

  2014cites this paper
• Improved pair-potential function for diatomic systems

  2014cites this paper
• CALIFORNIA STATE UNIVERSITY, NORTHRIDGE VISCOSITY MEASUREMENTS OF HELIUM-4 USING VIBRATING WIRE AS A VISCOMETER A thesis submitted in partial fulfillment of the requirements For the degree of Master of Science in Chemistry

  2013cites this paper
• Stationary flow conditions in pulsed supersonic beams.

  2013cites this paper
• Helium behavior at fcc-bcc semicoherent interfaces: trapping, clustering, nucleation, and growth of cavities

  2013cites this paper
• Quantum Monte Carlo and related approaches.

  2012cites this paper
• Rotationally resolved spectroscopy of the heteronuclear rare-gas dimers ArXe and KrXe and their singly-charged ions

  2012cites this paper
• The 4He Trimer as an Efimov System

  2011cites this paper
• The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method.

  2011cites this paper
• Dispersion energy evaluated by using locally projected occupied and excited molecular orbitals for molecular interaction.

  2011cites this paper
• Quantum Monte Carlo methods

  2011cites this paper
• Results and perspectives of the MO-VB method. Application examples on the He2 and the LiH-He complexes.

  2010cites this paper
• Quantum Monte Carlo calculated potential energy curve for the helium dimer.

  2010cites this paper
• New basis sets for the evaluation of interaction energies: an ab initio study of the He-He, Ne-Ne, Ar-Ar, He-Ne, He-Ar and Ne-Ar van der Waals complex internuclear potentials and ro-vibrational spectra.

  2010cites this paper
• Noble Gas Compounds: Reliable Computational Methods

  2009cites this paper
• Generation and spectroscopy of atoms and molecules in metastable states

  2009cites this paper
• To Wet or Not to Wet: That Is the Question

  2009influential citation
• Ultracold collisions in the system of three helium atoms

  2009cites this paper
• A novel approach to collision-induced dissociation (CID) for ion mobility-mass spectrometry experiments

  2009cites this paper
• There is no explosion risk associated with superfluid Helium in the LHC cooling system

  2008cites this paper
• Quantum Monte Carlo calculations of the potential energy curve of the helium dimer.

  2008cites this paper
• Interplay between theory and experiment in investigations of molecules embedded in superfluid helium nanodroplets

  2008cites this paper
• Can extrapolation to the basis set limit be an alternative to the counterpoise correction? A study on the helium dimer

  2008cites this paper
• Low-Dimensional Helium Quantum Fluids Realized under Nano-Extreme Conditions( New Frontiers of Quantum Fluids and Solids)

  2008cites this paper
• 4He Thermophysical Properties: New Ab Initio Calculations

  2007cites this paper
• Extrapolating to the one-electron basis-set limit in electronic structure calculations.

  2007cites this paper
• Thermal ionization in hydrogen plasma simulated using Feynman path integrals

  2007cites this paper
• Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons.

  2007cites this paper
• Quantum Monte Carlo: Atoms, Molecules, Clusters, Liquids, and Solids

  2007cites this paper
• An Extended Group Function Model for Intermolecular Interactions

  2006cites this paper
• Extraction of interatomic potentials from structure of liquids

  2005cites this paper
• High-level ab initio methods for calculation of potential energy surfaces of van der Waals complexes

  2004cites this paper
• Serendipitous meanderings and adventures with molecular beams.

  2004cites this paper
• Design and application of a multicoefficient correlation method for dispersion interactions.

  2004cites this paper
• Correlated intermolecular interaction components from asymptotically corrected Kohn-Sham orbitals

  2004influential citation
• Free energy differences: Representations, estimators, and sampling strategies

  2004cites this paper
• Comment on "An exact quantum Monte Carlo calculation of the helium-helium intermolecular potential" [J. Chem. Phys. 115, 4546 (2001)].

  2004cites this paper
• Examination of the correlation energy and second virial coefficients from accurate ab initio calculations of rare-gas dimers

  2003cites this paper
• Intermolecular forces and fixed-node diffusion Monte Carlo: A brute force test of accuracies for He2 and He–LiH

  2003cites this paper
• The 4He trimer: Structure and energetics of a very unusual molecule

  2003cites this paper
• Die Berechnung von intermolekularen Wechselwirkungsbeiträgen mit Dichtefunktional- und Brueckner-Coupled-Cluster-Methoden

  2003cites this paper
• On the Performance of Bond Functions and Basis Set Extrapolation Techniques in High-Accuracy Calculations of Interatomic Potentials. A Helium Dimer Study

  2003cites this paper
• Quantum Monte Carlo methods for the solution of the Schrödinger equation for molecular systems

  2002cites this paper
• Monte Carlo Quantum Methods for Electronic Structure

  2002cites this paper
• Intermolecular Interactions by Perturbation Theory

  2002cites this paper
• Models for low-temperature helium dimers and trimers

  2002cites this paper
• Ab initio basis set and correlation limit interaction energies for He–He, He–H2, and H–H2

  2001cites this paper
• A critical note on extrapolated helium pair potentials

  2001cites this paper
• Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12-)MR-CI. VI. The helium dimer (He2) revisited

  2001cites this paper
• Ab initio study of helium dimer

  2001cites this paper
• Investigation of 4He3 trimer on the base of Faddeev equations in configuration space

  2000cites this paper
• Theoretische Chemie 1999

  2000cites this paper
• Ab Initio Values of the Thermophysical Properties of Helium as Standards

  2000influential citation
• Basis set convergence of correlated calculations on He, H2, and He2

  2000cites this paper
• Nonadiabatic Monte Carlo simulation of H and H3

  2000cites this paper
• Observation of the high-resolution infrared absorption spectrum of CO2 molecules isolated in solid parahydrogen

  2000cites this paper
• Exponentially correlated Gaussian functions in variational calculations: Quadrupole moment for the ground state of helium dimer

  2000cites this paper
• Ground state potential energy curves for He2, Ne2, Ar2, He–Ne, He–Ar, and Ne–Ar: A coupled-cluster study

  1999cites this paper
• Adiabatic corrections of the helium dimer from exponentially correlated Gaussian functions

  1999cites this paper
• A very high accuracy potential energy surface for H3

  1999cites this paper
• Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He2, Ne2 and Ar2 using correlation consistent basis sets through augmented sextuple zeta

  1999cites this paper
• The dissociation energies of He2, HeH, and ArH: A bond function study

  1999cites this paper
• Calculations of the binding energies of weakly bound He-He-H, He-He-H- and He-H-H molecules

  1999cites this paper
• A new ab initio potential energy curve for the helium dimer

  1999cites this paper
• Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r 12-)MR-CI IV. The helium dimer (He 2)

  1999cites this paper
• Exponentially correlated Gaussian functions in variational calculations: Energy expectation values in the ground state helium dimer

  1999cites this paper
• Weakly bound triatomic He2Li and He2Na molecules

  1998cites this paper
• Full-variational treatment of GTF basis sets for molecular orbitals: application to interactions in the helium dimer under an electrostatic field

  1998cites this paper
• The Low-Lying States of He2.

  1998cites this paper
• Van der Waals potentials of He2, Ne2, and Ar2 with the exchange energy calculated by the surface integral method

  1997cites this paper
• Helium dimer potential from symmetry-adapted perturbation theory calculations using large Gaussian geminal and orbital basis sets

  1997cites this paper
• An accurate potential energy curve for helium based on ab initio calculations

  1997cites this paper
• Explicitly correlated Gaussian functions in variational calculations: the ground state of helium dimer

  1997cites this paper
• Removal of Dependencies from Nearly Complete Basis Sets. Calculations on the Helium Dimer

  1997cites this paper
• The nondestructive detection of the helium dimer and trimer

  1996cites this paper
• Helium dimer potential from symmetry-adapted perturbation theory

  1996cites this paper
• A quantum Monte Carlo perturbational study of the He–He interaction

  1996cites this paper
• Direct measurement of the size of the helium dimer

  1996cites this paper
• Spectroscopy of alkali atoms (Li, Na, K) attached to large helium clusters

  1996cites this paper
• Explicitly correlated Gaussian functions in variational calculatiions. Microhartree accuracy of the helium dimer energy

  1996cites this paper
• A general method for constructing multidimensional molecular potential energy surfaces from ab initio calculations

  1996cites this paper
• Exact Quantum Chemistry by Monte Carlo Methods

  1995cites this paper
• Fixed-node quantum Monte Carlo

  1995cites this paper
• Deltafunction model for the helium dimer

  1995cites this paper
• Electronic structure via the auxiliary‐field Monte Carlo algorithm

  1995cites this paper