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Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, 03/2015, Volume 91, Issue 3, p. 033108
.... Recent fixed-node path-integral Monte Carlo (RPIMC) data are believed to be the most accurate for the UEG at finite temperature, but they become questionable at high degeneracy when the Brueckner parameter rs = a/a(B... 
THERMODYNAMICS | COULOMB-SYSTEMS | PHYSICS, FLUIDS & PLASMAS | EXPANSION | DENSE HYDROGEN | DEGENERACY | SIMULATIONS | PHYSICS, MATHEMATICAL | PLASMA PHASE-TRANSITION | HOLE PLASMAS | HELIUM | HYDROGEN PLASMA | Physics - Strongly Correlated Electrons
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 09/2007, Volume 127, Issue 11, pp. 114107 - 114107-7
We propose Cholesky decomposition (CD) of the atomic two-electron integral matrix as a robust and general technique for generating auxiliary basis sets for the density fitting approximation. The atomic CD (aCD... 
LINEAR-RESPONSE THEORY | MATRIX | DENSITY FITTING APPROXIMATIONS | ATOMIC-ELECTRON DISTRIBUTIONS | COULOMB POTENTIALS | RESOLUTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OPTICAL-ROTATION | LARGE MOLECULES | DERIVATIVES | IDENTITY APPROXIMATION | Naturvetenskap | Natural Sciences | Kemi | Theoretical Chemistry | Teoretisk kemi | Chemical Sciences
Journal Article
Journal of Physics A: Mathematical and Theoretical, ISSN 1751-8113, 11/2012, Volume 45, Issue 47, pp. 475201 - 26
.... We assume that the Hamiltonian is rotationally invariant and parity conserving and identify all such systems which allow additional integrals of motion that are second-order matrix polynomials in the momenta... 
SPACE | PARTICLE | PHYSICS, MULTIDISCIPLINARY | CLASSICAL MECHANICS | EXACT SOLVABILITY | 3RD-ORDER INTEGRALS | POTENTIALS | QUANTUM-MECHANICS | PHYSICS, MATHEMATICAL | Coulomb potential | Integrals | Mathematical analysis | Particles (of physics) | Texts | Scalars | Polynomials | Vectors (mathematics) | Invariants
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 04/2015, Volume 142, Issue 15, p. 154106
Journal Article
Journal of Computational Physics, ISSN 0021-9991, 08/2013, Volume 247, pp. 62 - 78
Journal Article
Journal of Electrostatics, ISSN 0304-3886, 02/2017, Volume 85, pp. 52 - 60
.... The result, conveniently expressed in integral form, shows the unique behavior of the system as dimensionality increases... 
Uniformly charged d-cube | Physics-based numerical method | Electrostatic potential | Coulomb interaction | SYSTEM | DIMENSIONS | SQUARE | ELECTRONS | GENERALIZED THOMSON PROBLEM | CRYSTAL | ENGINEERING, ELECTRICAL & ELECTRONIC | Case studies | Plasma physics | Analysis | Methods
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 07/2019, Volume 151, Issue 1, p. 014108
Being motivated by the surge of fermionic quantum Monte Carlo simulations at finite temperature, we present a detailed analysis of the permutation-cycle properties of path integral Monte Carlo (PIMC... 
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS | CHEMISTRY, PHYSICAL | COMPUTER-SIMULATION | SIGN PROBLEM | SYSTEMS | COMPUTATION | RANGED COULOMB FORCES | Permutations | Fermions | Computer simulation | Integrals | Size effects | Monte Carlo simulation | Electrons | Electron gas
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 11/2015, Volume 143, Issue 20, p. 204101
.... Until recently, the only existing first-principle results had been obtained for N = 33 electrons with restricted path integral Monte Carlo (RPIMC... 
MATRIX | PLASMA | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | COMPUTER-SIMULATION | SIGN PROBLEM | SYSTEMS | STATE | DENSE HYDROGEN | COMPUTATION | RANGED COULOMB FORCES | EQUATION | Permutations | First principles | Computer simulation | Integrals | Density functional theory | Dense plasmas | Monte Carlo simulation | Electron gas
Journal Article
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, 10/2015, Volume 92, Issue 4, p. 043301
Previous papers by the authors report that they obtained compact, arbitrarily accurate expressions for two-center, one- and two-electron relativistic molecular integrals expressed over Slater-type orbitals... 
NUCLEAR-ATTRACTION INTEGRALS | SLATER-TYPE ORBITALS | ELECTRON-REPULSION INTEGRALS | PHYSICS, FLUIDS & PLASMAS | OVERLAP INTEGRALS | MULTICENTER INTEGRALS | 2-ELECTRON COULOMB INTEGRALS | BASIS-SETS | PRINCIPAL QUANTUM NUMBERS | NUMERICAL EVALUATION | ADDITION THEOREMS | PHYSICS, MATHEMATICAL
Journal Article
Journal Article
Annals of Physics, ISSN 0003-4916, 2009, Volume 324, Issue 7, pp. 1516 - 1546
Journal Article
Computer Physics Communications, ISSN 0010-4655, 01/2017, Volume 210, pp. 45 - 53
We present a new approach based on real time domain Feynman path integrals (RTPI) for electronic structure calculations and quantum dynamics, which includes correlations between particles exactly but within the numerical accuracy... 
Quantum dynamics | Monte Carlo | Strong correlation | Path integral | Hooke’s atom | First-principles | Hooke's atom | Monte Carlo methods | Correlation | Confinement | Coulomb friction | Computer simulation | Integrals | Mathematical analysis | Mathematical models
Journal Article
Physics of Plasmas, ISSN 1070-664X, 09/2013, Volume 20, Issue 9, p. 93504
Journal Article
Journal of Computational Physics, ISSN 0021-9991, 12/2015, Volume 302, Issue C, pp. 329 - 335
Journal Article