Maximum Ionization in Restricted and Unrestricted Hartree-Fock Theory
In this paper, we investigate the maximum number of electrons that can be bound to a system of nuclei modelled by Hartree-Fock theory. We consider both the Restricted and Unrestricted Hartree-Fock models. We are taking a non-existence approach (necessary but not sufficient), in other words we are fi...
| Published in: | Atoms |
|---|---|
| Main Authors: | Hazel Cox, Michael Melgaard, Ville J. J. Syrjanen |
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-02-01
|
| Subjects: | |
| Online Access: | https://www.mdpi.com/2218-2004/9/1/13 |
Similar Items
Existence of minimizers in restricted Hartree-Fock theory
by: Fabian Hantsch
Published: (2014-02-01)
by: Fabian Hantsch
Published: (2014-02-01)
Nuclear structure study of even-even 24-42Si isotopes using Skyrme - Hartree - Fock and Hartree - Fock - Bogolyubov methods
by: Ali A. Abdul Hasan, et al.
Published: (2020-03-01)
by: Ali A. Abdul Hasan, et al.
Published: (2020-03-01)
UMA FORMA SIMPLIFICADA DE DEDUZIR AS EQUAÇÕES DE HARTREE E HARTREE-FOCK
by: Rogério Custodio
Published: (2015-08-01)
by: Rogério Custodio
Published: (2015-08-01)
Matrix Methods for Solving Hartree-Fock Equations in Atomic Structure Calculations and Line Broadening
by: Thomas Gomez, et al.
Published: (2018-04-01)
by: Thomas Gomez, et al.
Published: (2018-04-01)
Ground-state solutions of a Hartree–Fock type system involving critical Sobolev exponent
by: Xiaoli Zhu, et al.
Published: (2024-09-01)
by: Xiaoli Zhu, et al.
Published: (2024-09-01)
Microscopic study of nuclear structure for some Si-isotopes using Skyrme-Hartree-Fock-method
by: Sheimaa T. Aluboodi
Published: (2019-02-01)
by: Sheimaa T. Aluboodi
Published: (2019-02-01)
Investigating nuclear deformation and longitudinal form factors in some fp-shell nuclei using the shell model and Hartree - Fock approximation
by: A. A. Alzubadi, et al.
Published: (2025-06-01)
by: A. A. Alzubadi, et al.
Published: (2025-06-01)
Hartree–Fock Calculations in Semi-Infinite Matter with Gogny Interactions
by: Dany Davesne, et al.
Published: (2023-08-01)
by: Dany Davesne, et al.
Published: (2023-08-01)
Non-equilibrium transport through a model quantum dot: Hartree–Fock approximation and beyond
by: Christian Schiegg, et al.
Published: (2015-01-01)
by: Christian Schiegg, et al.
Published: (2015-01-01)
Shell model and Hartree-Fock calculations of electron scattering form factors for 25Mg nucleus
by: Ali A. Alzubadi
Published: (2019-01-01)
by: Ali A. Alzubadi
Published: (2019-01-01)
Self-consistent description of Bose–Bose droplets: modified gapless Hartree–Fock–Bogoliubov method
by: Paweł Zin, et al.
Published: (2022-01-01)
by: Paweł Zin, et al.
Published: (2022-01-01)
On an effective equation of the reduced Hartree-Fock theory
by: Chenn Ilias, et al.
Published: (2023-06-01)
by: Chenn Ilias, et al.
Published: (2023-06-01)
Investigation of density and form factor of some F isotopes using Hartree-Fock and shell model calculations
by: Wasan Z. Majeed
Published: (2019-02-01)
by: Wasan Z. Majeed
Published: (2019-02-01)
Investigating the Nuclear Structure of 65Cu using the Shell Model and Hartree-Fock+BCS Approach
by: Ruwaida T. Mahdi, et al.
Published: (2025-09-01)
by: Ruwaida T. Mahdi, et al.
Published: (2025-09-01)
Nuclear structure study of 20Ne, 24Mg, 28Si and 32S nuclei using Skyrme-Hartree-Fock method
by: Ahmed N. Abdullah
Published: (2019-01-01)
by: Ahmed N. Abdullah
Published: (2019-01-01)
Investigation of the Nuclear Structure of Some Ni and Zn Isotopes with Skyrme-Hartree-Fock Interaction
by: Shaimaa A Abbas, et al.
Published: (2022-08-01)
by: Shaimaa A Abbas, et al.
Published: (2022-08-01)
Adapted Gaussian basis sets for atoms from Li through Xe generated with the generator coordinate Hartree-Fock method
by: EUSTÁQUIO V. R. DE CASTRO, et al.
Published: (2001-12-01)
by: EUSTÁQUIO V. R. DE CASTRO, et al.
Published: (2001-12-01)
DENSITY OF CONDENSATE OF WEAKLY INTERACTING BOSE GAS CONFINED BETWEEN TWO HARD WALLS IN IMPROVED HARTREE-FOCK APPROXIMATION
by: Nguyễn Văn Thụ
Published: (2020-05-01)
by: Nguyễn Văn Thụ
Published: (2020-05-01)
Chaotic control problem of BEC system based on Hartree–Fock mean field theory
by: Shen Yang, et al.
Published: (2024-03-01)
by: Shen Yang, et al.
Published: (2024-03-01)
Tailoring of new Ni(II), Hg(II) and UO2(II)–hydrazide complexes: characterization, studies in-vitro and in-silico as well as the Hartree-Fock modeling
by: Jihan Qurban, et al.
Published: (2022-05-01)
by: Jihan Qurban, et al.
Published: (2022-05-01)
Study of positive parity states form factors for 17O nucleus with Skyrme-Hartree-Fock method
by: Aziz Fatah, et al.
Published: (2023-06-01)
by: Aziz Fatah, et al.
Published: (2023-06-01)
A Statistically Supported Antioxidant Activity DFT Benchmark—The Effects of Hartree–Fock Exchange and Basis Set Selection on Accuracy and Resources Uptake
by: Maciej Spiegel, et al.
Published: (2021-08-01)
by: Maciej Spiegel, et al.
Published: (2021-08-01)
Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation?
by: Alessandro Genoni, et al.
Published: (2017-03-01)
by: Alessandro Genoni, et al.
Published: (2017-03-01)
GPU-Accelerated Fock Matrix Computation with Efficient Reduction
by: Satoki Tsuji, et al.
Published: (2025-04-01)
by: Satoki Tsuji, et al.
Published: (2025-04-01)
Blow-up solutions to the Hartree-Fock type Schrödinger equation with the critical rotational speed
by: Tu Yuanyuan, et al.
Published: (2025-06-01)
by: Tu Yuanyuan, et al.
Published: (2025-06-01)
Multi-Configuration Dirac–Hartree–Fock Calculations of Pr<sup>9+</sup> and Nd<sup>10+</sup>: Configuration Resolution and Probing Fine-Structure Constant Variation
by: Songya Zhang, et al.
Published: (2025-06-01)
by: Songya Zhang, et al.
Published: (2025-06-01)
Electronegativity under Confinement
by: Andrés Robles-Navarro, et al.
Published: (2021-11-01)
by: Andrés Robles-Navarro, et al.
Published: (2021-11-01)
Electromagnetic multipole of positive and negative parity states in 24Mg by elastic and inelastic electron scattering
by: NOORI S. Manie, et al.
Published: (2019-08-01)
by: NOORI S. Manie, et al.
Published: (2019-08-01)
Study the atomic properties of 2s shell for some atoms
by: Shaymaa Awad Kadhim
Published: (2019-02-01)
by: Shaymaa Awad Kadhim
Published: (2019-02-01)
New Transition and Energy Levels of Three-Times Ionized Krypton (Kr IV)
by: M. Raineri, et al.
Published: (2021-07-01)
by: M. Raineri, et al.
Published: (2021-07-01)
<b>Effect of side chain length on the stability and structural properties of 3-(2’,5’-dialkoxy-phenyl)thiophenes: a theoretical study</b>
by: Taye Beyene Demissie, et al.
Published: (2010-04-01)
by: Taye Beyene Demissie, et al.
Published: (2010-04-01)
He2+ impact single ionization cross sections of Cu atom
by: S. P. Gupta, et al.
Published: (2022-09-01)
by: S. P. Gupta, et al.
Published: (2022-09-01)
He2+ impact single ionization cross sections of Cu atom
by: S. P. Gupta, et al.
Published: (2022-09-01)
by: S. P. Gupta, et al.
Published: (2022-09-01)
Global well-posedness for Klein-Gordon-Hartree and fractional Hartree equations on modulation spaces
by: Divyang G. Bhimani
Published: (2021-12-01)
by: Divyang G. Bhimani
Published: (2021-12-01)
Electron density analysis of two-electron systems confined by prolate spheroids with hard walls
by: Heichi Yanajara-Parra, et al.
Published: (2024-01-01)
by: Heichi Yanajara-Parra, et al.
Published: (2024-01-01)
Comparative Quantum Chemical Study Using HF and DFT Methods in Conjunction with Different Sizes of Basis Sets
by: Ali Al-Sarray, et al.
Published: (2024-12-01)
by: Ali Al-Sarray, et al.
Published: (2024-12-01)
A matrix acting between Fock spaces
by: Zhengyuan Zhuo, et al.
Published: (2024-01-01)
by: Zhengyuan Zhuo, et al.
Published: (2024-01-01)
Nuclear binding energy and density distribution of Pb isotopes in a Skyrme - Hartree - Fock method
by: Y. Yulianto, et al.
Published: (2017-11-01)
by: Y. Yulianto, et al.
Published: (2017-11-01)
Linear Increasing in Radial Electronic Density Distribution for K and L Shells throughout Some Be-Like Ions
by: Baghdad Science Journal
Published: (2013-12-01)
by: Baghdad Science Journal
Published: (2013-12-01)
Electronic Structure Calculations with the Exact Pseudopotential and Interpolating Wavelet Basis
by: Tommi Höynälänmaa, et al.
Published: (2023-01-01)
by: Tommi Höynälänmaa, et al.
Published: (2023-01-01)
Similar Items
-
Existence of minimizers in restricted Hartree-Fock theory
by: Fabian Hantsch
Published: (2014-02-01) -
Nuclear structure study of even-even 24-42Si isotopes using Skyrme - Hartree - Fock and Hartree - Fock - Bogolyubov methods
by: Ali A. Abdul Hasan, et al.
Published: (2020-03-01) -
UMA FORMA SIMPLIFICADA DE DEDUZIR AS EQUAÇÕES DE HARTREE E HARTREE-FOCK
by: Rogério Custodio
Published: (2015-08-01) -
Matrix Methods for Solving Hartree-Fock Equations in Atomic Structure Calculations and Line Broadening
by: Thomas Gomez, et al.
Published: (2018-04-01) -
Ground-state solutions of a Hartree–Fock type system involving critical Sobolev exponent
by: Xiaoli Zhu, et al.
Published: (2024-09-01)
