Works matching DE "HARTREE-Fock approximation"

Results: 1013

Existence of Global-In-Time Solutions to a Generalized Dirac-Fock Type Evolution Equation.

Published in:

Letters in Mathematical Physics, 2005, v. 72, n. 2, p. 99, doi. 10.1007/s11005-005-4377-9

By:

Hainzl, Christian;
Lewin, Mathieu;
Sparber, Christof

Publication type:

Article

Lowering the Hartree-Fock Minimizer by Electron-Positron Pair Correlation.

Published in:

Letters in Mathematical Physics, 2004, v. 70, n. 1, p. 29, doi. 10.1007/s11005-004-3501-6

By:

Aschbacher, Walter

Publication type:

Article

Editorial special issue on "Quantum Mechanics in Industry".

Published in:

2021

By:

Göller, Andreas H.

Publication type:

Editorial

Computational atomistic blueprinting of novel conducting copolymers using particle swarm optimization.

Published in:

Journal of Computer-Aided Molecular Design, 2014, v. 28, n. 2, p. 111, doi. 10.1007/s10822-014-9736-0

By:

Thakral, Priyanka;
Bakhshi, A.

Publication type:

Article

Properties of periodic Hartree–Fock minimizers.

Published in:

Calculus of Variations & Partial Differential Equations, 2009, v. 35, n. 1, p. 39, doi. 10.1007/s00526-008-0196-z

By:

Ghimenti, Marco;
Lewin, Mathieu

Publication type:

Article

¹S0 Pairing Gaps, Chemical Potentials and Entrainment Matrix in Superfluid Neutron-Star Cores for the Brussels–Montreal Functionals.

Published in:

Universe (2218-1997), 2021, v. 7, n. 12, p. 1, doi. 10.3390/universe7120470

By:

Allard, Valentin;
Chamel, Nicolas

Publication type:

Article

Calculation of the Magnetic Dipole and Electric Quadrupole Moments of some Sodium Isotopes using Shell Model with Skyrme Interaction.

Published in:

Iraqi Journal of Physics, 2022, v. 20, n. 3, p. 40, doi. 10.30723/ijp.v20i3.1004

By:

Harby, Ghofran. W.;
Alzubadi, Ali. A.

Publication type:

Article

Study of the nuclear structure for 38Ar, 59Co, 124Sn, 146Nd, 153Eu and 203Tl target nuclei used in fabrication the nuclear batteries.

Published in:

Iraqi Journal of Physics, 2020, v. 18, n. 44, p. 69, doi. 10.20723/ijp.18.44.69-84

By:

Nassir, Samaa S.;
Alzubadi, Ali A.

Publication type:

Article

The emission spectra and hydrodynamic properties of Al plasma using Nd-YAG laser.

Published in:

Iraqi Journal of Physics, 2018, v. 16, n. 38, p. 83, doi. 10.20723/ijp.16.38.83-98

By:

Ayyash, Shaymaa N.;
Mahmoad, Mahmoad SH.

Publication type:

Article

The Calculations of Oscillator Strengths and Transition Probabilities for Atomic Fluorine.

Published in:

Turkish Journal of Physics, 2006, v. 30, n. 3, p. 165

By:

Çelιk, Gültekin;
Kiliç, H. Şükür;
Akin, Erhan

Publication type:

Article

Density functional study of molecular interactions in secondary structures of proteins.

Published in:

Biophysics & Physicobiology, 2016, v. 13, p. 27, doi. 10.2142/biophysico.13.0_27

By:

Yu Takano;
Ayumi Kusaka;
Nakamura, Haruki

Publication type:

Article

Anion recognition by a family of quinoline-functionalised bis-amide hosts in solid state and in solution.

Published in:

Supramolecular Chemistry, 2012, v. 24, n. 6, p. 385, doi. 10.1080/10610278.2012.676179

By:

Jana, Subrata;
Whiting, AmandaL.;
Hazra, Anita;
Sen, Saikat;
Goswami, Shyamaprosad;
Mehta, Goverdhan;
Fun, Hoong-Kun;
Hof, Fraser

Publication type:

Article

Auger decays of doubly excited states of oxygen, carbon, and nitrogen ions.

Published in:

Technical Physics Letters, 2009, v. 35, n. 2, p. 170, doi. 10.1134/S1063785009020217

By:

Vasetskaya, N. O.;
Ivanov, V. K.

Publication type:

Article

FORMATION, CHARACTERISATION AND COMPUTATIONAL STUDY OF SOME 1,3-THIAZINES COMPOUNDS.

Published in:

Oxidation Communications, 2024, v. 47, n. 1, p. 67

By:

ALI, MIAMI HUSSEIN;
IBRAHIM, HUDA MUTAR;
AHMED, AYYSHA SHIHAB;
WASMI, MAYS SUBHI;
AL SAMARRAI, OTHMAN RASHID

Publication type:

Article

The Belgian Repository of Fundamental Atomic Data and Stellar Spectra (BRASS) Identifying Fruitful Methods for Producing Atomic Data.

Published in:

Galaxies (2075-4434), 2018, v. 6, n. 3, p. 78, doi. 10.3390/galaxies6030078

By:

Laverick, Mike;
Lobel, Alex;
Royer, Pierre;
Martayan, Christophe;
Merle, Thibault;
Van Hoof, Peter A. M.;
Van De Swaelmen, Mathieu;
David, Marc;
Hensberge, Herman;
Thienpont, Emmanuel

Publication type:

Article

Successes and Difficulties in Calculating Atomic Oscillator Strengths and Transition Rates.

Published in:

Galaxies (2075-4434), 2018, v. 6, n. 3, p. 77, doi. 10.3390/galaxies6030077

By:

Hibbert, Alan

Publication type:

Article

Peculiarities of formation of hydroxonium ion and its small clusters.

Published in:

Russian Journal of General Chemistry, 2015, v. 85, n. 5, p. 1005, doi. 10.1134/S1070363215050011

By:

Kobzev, G.;
Zaika, Yu.

Publication type:

Article

Ab initio conformation analysis of ouabain and ouabagenin molecules.

Published in:

Russian Journal of General Chemistry, 2008, v. 78, n. 2, p. 286, doi. 10.1134/S1070363208020187

By:

Rogachevskii, I.

Publication type:

Article

Quantum-chemical study of the equilibrium geometry and electronic structure of certain γ-pyrone derivatives.

Published in:

Russian Journal of General Chemistry, 2006, v. 76, n. 11, p. 1820, doi. 10.1134/S1070363206110272

By:

Rogachevskii, I.;
Plakhova, V.

Publication type:

Article

Thermodynamic properties of certain acetylenic peroxy derivatives of o-and m-carboranes.

Published in:

Russian Journal of General Chemistry, 2006, v. 76, n. 7, p. 1085, doi. 10.1134/S1070363206070139

By:

Dibrivnii, V. N.

Publication type:

Article

Structure and rotational isomerism of chloroacetyl chloride molecules.

Published in:

Russian Journal of General Chemistry, 2006, v. 76, n. 3, p. 356, doi. 10.1134/S1070363206030042

By:

Feshin, V. P.;
Soifer, G. B.

Publication type:

Article

Correlation and Relativistic Effects on the Level Structure of Negative Ions of Atoms with Half-filled p Shell.

Published in:

Journal of Mathematical & Fundamental Sciences, 2013, v. 45, n. 2, p. 105, doi. 10.5614/j.math.fund.sci.2013.45.2.1

By:

Konan, Gülay Günday;
Özdemir, Leyla;
Nurgül Gündüz

Publication type:

Article

Convergence of Adaptive Compression Methods for Hartree‐Fock‐Like Equations.

Published in:

Communications on Pure & Applied Mathematics, 2019, v. 72, n. 3, p. 451, doi. 10.1002/cpa.21784

By:

Lin, Lin;
Lindsey, Michael

Publication type:

Article

MOLECULAR STRUCTURE, SPECTROSCOPIC STUDIES, HOMO-LUMO PROFILE AND NBO ANALYSIS OF 3-ETHOXY-4-HYDROXY BENZALDEHYDE.

Published in:

Rasayan Journal of Chemistry, 2015, v. 8, n. 4, p. 490

By:

Chithambarathanu, T.;
Vanaja, K.;
Magdaline, J. Daisy

Publication type:

Article

THEORETICAL INVESTIGATION OF ELECTROSTATIC POTENTIAL AND NON LINEAR OPTICAL PROPERTIES OF M-NITROACETANILIDE.

Published in:

Rasayan Journal of Chemistry, 2015, v. 8, n. 4, p. 509

By:

Boukabcha, N.;
Benhalima, N.;
Rahmani, R.;
Chouaih, A.;
Hamzaoui, F.

Publication type:

Article

Theory of optical properties of graphene quantum dots.

Published in:

Physica Status Solidi - Rapid Research Letters, 2016, v. 10, n. 1, p. 102, doi. 10.1002/pssr.201510335

By:

Ozfidan, Isil;
Güçlü, A. D.;
Korkusinski, Marek;
Hawrylak, Pawel

Publication type:

Article

Electronic properties and electron-electron interactions in graphene quantum dots.

Published in:

Physica Status Solidi - Rapid Research Letters, 2016, v. 10, n. 1, p. 13, doi. 10.1002/pssr.201510251

By:

Ozfidan, Isil;
Korkusinski, Marek;
Hawrylak, Pawel

Publication type:

Article

AB INITIO STUDY ON OPTIMIZATION OF BISPHENOL A AND PHOSGENE TO MANUFACTURE POLYCARBONATE.

Published in:

Journal of Science & Arts, 2020, v. 20, n. 4, p. 995, doi. 10.46939/J.Sci.Arts-20.4-b04

By:

MAMEDOV, BAHTIYAR A.;
SOMUNCU, ELIF;
KARATAS, EBRU

Publication type:

Article

Solid solubility and superconductivity of FeyTe1−xXx (X = Se, S).

Published in:

Powder Diffraction, 2015, v. 30, n. 2, p. 117, doi. 10.1017/S0885715614001365

By:

Guo, Z. N.;
Han, B. L.;
Li, P.;
Zhang, H. H.;
Yuan, W. X.

Publication type:

Article

Group Theory of Wannier Functions Providing the Basis for a Deeper Understanding of Magnetism and Superconductivity.

Published in:

Symmetry (20738994), 2015, v. 7, n. 2, p. 561, doi. 10.3390/sym7020561

By:

Krüger, Ekkehard;
Strunk, Horst P.

Publication type:

Article

Effect of Tensor Correlations on the Density Dependence of the Nuclear Symmetry Energy.

Published in:

Symmetry (20738994), 2015, v. 7, n. 1, p. 15, doi. 10.3390/sym7010015

By:

Vidaña, Isaac;
Providência, Constança;
Polls, Artur

Publication type:

Article

Ab-initio determination of high-pressure and high-temperature thermoelastic and thermodynamic properties of low-spin (Mg1-xFex)O ferropericlase with x in the range [0.06, 0.59].

Published in:

American Mineralogist, 2013, v. 98, n. 7, p. 1270, doi. 10.2138/am.2013.4392

By:

Scanavino, Isacco;
Prencipe, Mauro

Publication type:

Article

Magnetic Moment μ of Ω[sup -]-Baryon Using Richardson Potential in a Relativistic Hartree–Fock (RHF) Method.

Published in:

Modern Physics Letters A, 2000, v. 15, n. 10, p. 683, doi. 10.1142/S0217732300000670

By:

Ray, Kanad;
Dey, Jishnu;
Dey, Mira

Publication type:

Article

ENTROPY IN SCALAR O(N) MODEL WITH A SPONTANEOUSLY BROKEN SYMMETRY.

Published in:

International Journal of Modern Physics A: Particles & Fields; Gravitation; Cosmology; Nuclear Physics, 2009, v. 24, n. 30, p. 5725, doi. 10.1142/S0217751X09047363

By:

LI, BAO-CHUN;
WANG, LI-LI

Publication type:

Article

CORNWALL–JACKIW–TOMBOULIS EFFECTIVE POTENTIAL FOR CANONICAL NONCOMMUTATIVE FIELD THEORIES.

Published in:

International Journal of Modern Physics A: Particles & Fields; Gravitation; Cosmology; Nuclear Physics, 2004, v. 19, n. 21, p. 3541, doi. 10.1142/S0217751X04018270

By:

Mandanici, Gianluca

Publication type:

Article

Theoretical Study of the Mechanism of an Inverse-Demand Diels-Alder Reaction.

Published in:

Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ), 2012, v. 37, n. 1, p. 75, doi. 10.1007/s13369-011-0167-0

By:

Shihab, Mehdi

Publication type:

Article

THEORETICAL STUDIES OF MOLECULAR STRUCTURE AND VIBRATIONAL SPECTRA OF THE ASYMMETRIC SQUARAINE [(2-DIMETHYLAMINO-4-ANILINO) SQUARAINE].

Published in:

Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ), 2009, v. 34, n. 2A, p. 55

By:

Tarcan, Erdoğan;
Pekparlak, Asli;
Avcı, Davut;
Atalay, Yusuf

Publication type:

Article

A 2D open-framework cadmium(II) complex templated by 1,4-bis(3-aminopropyl)piperazine: crystal structure, optical properties, theoretical and biological study.

Published in:

Journal of the Iranian Chemical Society, 2023, v. 20, n. 8, p. 1801, doi. 10.1007/s13738-023-02798-7

By:

Ouerghi, Zeineb;
Dridi, Imen;
Guionneau, Philippe;
Auguste, Sandy;
Kefi, Riadh

Publication type:

Article

Use of One-Range Addition Theorems in Terms of ψα-ETO for ψα-ETO and Coulomb-Yukawa Like Correlated Interaction Potentials with Integer and Noninteger Indices in Evaluation of Multicenter Multielectron Integrals.

Published in:

Journal of the Iranian Chemical Society, 2011, v. 8, n. 3, p. 643, doi. 10.1007/BF03245895

By:

Guseinov, I. I.

Publication type:

Article

Existence of Infinitely Many Distinct Solutions to the Quasirelativistic Hartree-Fock Equations.

Published in:

International Journal of Mathematics & Mathematical Sciences, 2009, p. 1, doi. 10.1155/2009/651871

By:

Enstedt, M.;
Melgaard, M.

Publication type:

Article

A bridge between finite and infinite nuclear matter.

Published in:

Canadian Journal of Physics, 2021, v. 99, n. 5, p. 312, doi. 10.1139/cjp-2020-0104

By:

Biswal, S.K.;
Singh, S.K.;
Bhuyan, M.;
Panda, R.N.;
Patra, S.K.

Publication type:

Article

Analytical method for calculating atomic structures based on the variational method for many-electron atomic structure in plasmas.

Published in:

Canadian Journal of Physics, 2020, v. 98, n. 10, p. 959, doi. 10.1139/cjp-2019-0538

By:

Ma, Kun;
Chen, Zhanbin

Publication type:

Article

Comment on "Fourier transform of hydrogen-type atomic orbitals".

Published in:

Canadian Journal of Physics, 2019, v. 97, n. 12, p. 1349, doi. 10.1139/cjp-2019-0046

By:

Weniger, Ernst Joachim

Publication type:

Article

The cluster model for studying even–even light nuclei.

Published in:

Canadian Journal of Physics, 2018, v. 96, n. 11, p. 1230, doi. 10.1139/cjp-2017-0602

By:

Roshanbakht, Nafiseh;
Shojaei, Mohammad Reza

Publication type:

Article

Lifetimes, oscillator strengths, and transition probabilities for Ce IV.

Published in:

Canadian Journal of Physics, 2017, v. 95, n. 11, p. 1103, doi. 10.1139/cjp-2017-0161

By:

Karaçoban Usta, Betül;
Alparslan, Büşra

Publication type:

Article

Potential energy curve and spectroscopic parameters of multi-charged LiF molecule.

Published in:

Canadian Journal of Physics, 2017, v. 95, n. 11, p. 1122, doi. 10.1139/cjp-2017-0155

By:

Abdullah, Hewa Y.

Publication type:

Article

Extended analysis of Xe VII and Xe VIII.

Published in:

Canadian Journal of Physics, 2017, v. 95, n. 9, p. 805, doi. 10.1139/cjp-2016-0728

By:

Raineri, M.;
Gallardo, M.;
Reyna Almandos, J.;
Pagan, C.J.B.;
Sarmiento, R.

Publication type:

Article

Density functional theory (DFT) and Hartree-Fock (HF) calculations of potential p-vinylbenzyl chloride-based macroinitiator for atom transfer radical polymerization.

Published in:

Canadian Journal of Physics, 2016, v. 94, n. 3, p. 290, doi. 10.1139/cjp-2015-0665

By:

Akman, Feride

Publication type:

Article

Lifetimes for singly ionized nitrogen.

Published in:

Canadian Journal of Physics, 2014, v. 92, n. 1, p. 82, doi. 10.1139/cjp-2013-0355

By:

Yıldız, Murat;
Gökçe, Yasin

Publication type:

Article

Quantum breathers in ferromagnetic chains with on-site easy axis anisotropy.

Published in:

Canadian Journal of Physics, 2013, v. 91, n. 10, p. 788, doi. 10.1139/cjp-2013-0044

By:

Tang, Bing;
Li, De-Jun;
Tang, Yi

Publication type:

Article