Total Spreads
⚡ ALL INFORMATION CLICK HERE 👈🏻👈🏻👈🏻
Total Spreads
From Wikipedia, the free encyclopedia
This article is an orphan , as no other articles link to it . Please introduce links to this page from related articles ; try the Find link tool for suggestions. ( May 2014 )
This article may be too technical for most readers to understand . Please help improve it to make it understandable to non-experts , without removing the technical details. ( June 2014 ) ( Learn how and when to remove this template message )
^ W. Kohn (1964). "Theory of the Insulating State". Phys. Rev . 133 (1A): A171–A181. Bibcode : 1964PhRv..133..171K . doi : 10.1103/PhysRev.133.A171 .
^ R. Resta; S. Sorella (1999). "Electron Localization in the Insulating State". Phys. Rev. Lett . 82 (2): 370. arXiv : cond-mat/9808151 . Bibcode : 1999PhRvL..82..370R . doi : 10.1103/PhysRevLett.82.370 .
^ O. Brea; M. El Khatib; C. Angeli; G.L. Bendazzoli; S. Evangelisti; T. Leininger (2013). "Behavior of the Position–Spread Tensor in Diatomic Systems". J. Chem. Theory Comput . 9 (12): 5286–5295. doi : 10.1021/ct400453b . PMID 26592266 .
^ M. El Khatib; T. Leininger; G. L. Bendazzoli; S. Evangelisti (2014). "Computing the Position-Spread Tensor in the CAS-SCF formalism". Chem. Phys. Lett . 591 (2): 58. Bibcode : 2014CPL...591...58E . doi : 10.1016/j.cplett.2013.10.080 .
^ R. Kubo (1962). "Generalized cumulant expansion method". Journal of the Physical Society of Japan . 17 (7): 1100–1120. Bibcode : 1962JPSJ...17.1100K . doi : 10.1143/JPSJ.17.1100 .
In physics, the total position-spread (TPS) tensor is a quantity originally introduced in the modern theory of electrical conductivity . In the case of molecular systems, this tensor measures the fluctuation of the electrons around their mean positions, which corresponds to the delocalization of the electronic charge within a molecular system. The total position-spread can discriminate between metals and insulators taking information from the ground state wave function . This quantity can be very useful as an indicator to characterize Intervalence charge transfer processes, the bond nature of molecules (covalent, ionic, or weakly bonded), and Metal–insulator transition .
The Localization Tensor (LT) is a per electron quantity proposed in the context of the theory of Kohn [1] to characterize electrical conductivity properties. In 1964, Kohn realized that electrical conductivity is more related to the proper delocalization of the wave function than a simple bandgap. In fact, he proposed that a qualitative difference between insulators and conductors also manifests as a different organization of the electrons in their ground state where one has that: the wave function is strongly localized in insulators and very delocalized in conductors.
The interesting outcome of this theory is: i) it relates the classical idea of localized electrons as a cause of insulating state; ii) the needed information can be recovered from the ground state wave function because in the insulated regime the wave function breaks down as a sum of disconnected terms.
It is until 1999 that Resta and coworkers [2] found a way to define the Kohn delocalization by proposing the already mentioned Localization Tensor. The LT is defined as a second order moment cumulant of the position operator divided by the number of electrons in the system. The key property of the LT is that: it diverges for metals while it takes finite values for insulators in the Thermodynamic limit .
Recently, the global quantity (the LT not divided by the number of electrons) has been introduced to study molecules and named Total Position-Spread tensor. [3]
The total position spread Λ is defined as the second moment cumulant of the total electron position operator , and its units are in length square (e.g. bohr²). In order to compute this quantity, one has to take into account the position operator and its tensorial square. [4] For a system of n electrons, the position operator and its Cartesian components are defined as:
Where the i index runs over the number of electrons. Each component of the position operator is a one-electron operator, they can be represented in second quantization as follows:
where i , j run over orbitals. The expectation values of the position components are the first moments of the electrons' position.
Now we consider the tensorial square (second moment). In this sense, there are two types of them:
The second moment of the position becomes then the sum of the one- and two-electron operators already defined:
Given a n -electron wave function
Ψ
{\displaystyle \Psi }
, one wants to compute the second moment cumulant of it. A cumulant is a linear combination of moments so we have:
The position operator can be partitioned according to spin components.
From the one-particle operator it is possible to define the total spin-partitioned position operator as:
Therefore, the total position operator
R
^
{\displaystyle \mathbf {\hat {R}} }
can be expressed by the sum of the two spin parts
α
{\displaystyle \alpha }
and
β
{\displaystyle \beta }
:
and the square of the total position operator decomposes as:
Thus, there are four joint second moment cumulant of the spin-partitioned position operator:
The Hubbard model is a very simple and approximate model employed in Condensed matter physics to describe the transition of materials from metals to insulators. It takes into account only two parameters: i) the kinetic energy or hopping integral denoted by -t ; and ii) the on-site repulsion between electrons represented by U (see the example of 1D chain of hydrogen atoms ).
In Figure 1, there are two limit cases to consider: larger values of -t/U representing a strong charge fluctuation (electrons free to move) whereas for small values of -t/U the electrons are completely localized. The spin-summed total position-spread is very sensitive to these changes because it increases faster than linearly when electrons start to present mobility (0.0 to 0.5 range of -t/U ).
The total position-spread is a powerful tool to monitor the wave function. In Figure 3 is shown the longitudinal spin-summed total position-spread ( Λ ∥ ) computed at full configuration interaction level for the H 2 diatomic molecule. The Λ ∥ in the high repulsive region shows a value that is lower than in the asymptotic limit. This is a consequence of nuclei being near to each other's causing and enhancement of the effective nuclear charge that makes electrons to be more localized. When stretching the bond, the total position-spread starts growing until it reaches a maximum (strong delocalization of the wave function) before the bond is broken. Once the bond is broken, the wave function becomes a sum of disconnected localized regions, and the tensor decreases until it reaches twice the value of the atomic limit (1 bohr² for each hydrogen atom).
When the total position-spread tensor is partitioned according to spin (spin-partitioned total position-spread), it becomes a powerful tool to describe spin delocalization in the insulating regime. In Figure 4 is shown the longitudinal spin-partitioned total position-spread ( Λ ∥ ) computed at full configuration interaction level for the H 2 diatomic molecule. The horizontal line at 0 bohr 2 divides the same spin (positive values) and different spin (negative values) contributions of the spin partitioned total position-spread. Unlike the spin-summed total position-spread that saturates to the atomic value for R>5, the spin-partitioned total position-spread diverges as R 2 indicating that there is a strong spin delocalization. The spin-partitioned total position-spread can also be seen as a measure of how strong the electron correlation is.
The total position-spread is a cumulant [5] and thus it possesses the following properties:
total spread - Russian translation – Linguee
Total position spread - Wikipedia
total spread 🎓 перевод с английского на русский
NOMX Credit Total Spread Index (NOMXCRSP) - Investing.com
10 Options Strategies to Know | 8. Long Call Butterfly Spread
Все языки Абхазский Адыгейский Азербайджанский Аймара Айнский язык Акан Албанский Алтайский Английский Арабский Арагонский Армянский Арумынский Астурийский Африкаанс Багобо Баскский Башкирский Белорусский Болгарский Бретонский Бурятский Валлийский Варайский Венгерский Вепсский Верхнелужицкий Вьетнамский Гаитянский Греческий Грузинский Гуарани Гэльский Датский Долганский Древнерусский язык Иврит Идиш Ингушский Индонезийский Инупиак Ирландский Исландский Испанский Итальянский Йоруба Казахский Карачаевский Каталанский Квенья Кечуа Киргизский Китайский Клингонский Коми Корейский Кри Крымскотатарский Кумыкский Курдский Кхмерский Латинский Латышский Лингала Литовский Ложбан Люксембургский Майя Македонский Малайский Маньчжурский Маори Марийский Микенский Мокшанский Монгольский Науатль Немецкий Нидерландский Ногайский Норвежский Орокский Осетинский Османский Пали Папьяменто Пенджабский Персидский Польский Португальский Румынский, Молдавский Русский Санскрит Северносаамский Сербский Сефардский Силезский Словацкий Словенский Суахили Тагальский Таджикский Тайский Татарский Тви Тибетский Тофаларский Тувинский Турецкий Туркменский Удмурдский Узбекский Уйгурский Украинский Урду Урумский Фарерский Финский Французский Хинди Хорватский Церковнославянский (Старославянский) Черкесский Чероки Чеченский Чешский Чувашский Шайенского Шведский Шорский Шумерский Эвенкийский Эльзасский Эрзянский Эсперанто Эстонский Юпийский Якутский Японский
Все языки Азербайджанский Албанский Арабский Армянский Африкаанс Баскский Болгарский Венгерский Вьетнамский Гаитянский Греческий Грузинский Датский Древнерусский язык Иврит Индонезийский Ирландский Исландский Испанский Итальянский Йоруба Казахский Каталанский Квенья Китайский Клингонский Корейский Курдский Латинский Латышский Литовский Македонский Малайский Мальтийский Маори Марийский Мокшанский Монгольский Немецкий Нидерландский Пали Папьяменто Персидский Польский Португальский Румынский, Молдавский Русский Сербский Словацкий Словенский Суахили Тагальский Тайский Тамильский Татарский Турецкий Удмурдский Уйгурский Украинский Урду Фарерский Финский Французский Хинди Хорватский Церковнославянский (Старославянский) Чаморро Чероки Чешский Чувашский Шведский Эрзянский Эстонский Японский
Перевод:
с английского на русский
с русского на английский
С русского на:
Английский
С английского на:
Русский
Книги
Principles of Flight for Pilots , Peter J. Swatton , Organised and written as an accessible study guide for student pilots wishing to take commercial ground examinations to obtain ATPL or CPL licenses, Principles of Flight for Pilots also… Категория: Техническая литература Издатель: John Wiley & Sons Limited , Подробнее Купить за 7116.01 руб электронная книга (fb2, fb3, epub, mobi, pdf, html, pdb, lit, doc, rtf, txt)
Possibilistic Logistic Regression , Hesham A. Abdalla , Parameter estimation for logistic regression is usually based on maximizing the likelihood function. For large well-balanced datasets ML estimation is a satisfactory approach. Unfortunately,… Категория: Математическая статистика Издатель: LAP Lambert Academic Publishing , Подробнее Купить за 6002 руб
Assessing the environmental health hazards and housing development in the slums of Abuja, Fct. , Matthias Okoro , S. Uchegbu , Master's Thesis from the year 2014 in the subject Environmental Sciences, grade: A, University of Nigeria (CENTER FOR ENVIRONMENTAL MANAGEMENT AND CONTROL), course: ENVIRONMENTAL MANAGEMENT… Категория: Научная литература Подробнее Купить за 5577 руб
Total Quality Management. Concepts, Strategy and Implementation for Operational Excellence , Matthias Okoro , S. Uchegbu , This textbook discusses total quality management (TQM) as a strategy rather than just a technique and provides a comprehensive overview of how TQM helps in attaining operational and business… Категория: Менеджмент и управление Подробнее Купить за 4664 руб
College Basketball. Wagering to Win , Larry R. Seidel , Fans that wager on college basketball can become consistent winners and still gain the full entertainment value of both watching the games and wagering. By applying a little extra effort to… Категория: Дом и хобби Подробнее Купить за 2327 руб
Другие книги по запросу «total spread» >>
Spread betting — is any of various types of wagering on the outcome of an event, where the pay off is based on the accuracy of the wager, rather than a simple win or lose outcome, which is known as money line betting. A spread is a range of outcomes, and the bet… … Wikipedia
Total return swap — Total return swap, or TRS (especially in Europe), or total rate of return swap, or TRORS, is a financial contract which transfers both the credit risk and market risk of an underlying asset. Contract definition Let us assume that one bank (bank… … Wikipedia
spread costs — spread payments/repayments/costs ► FINANCE to make regular payments towards the total cost of something, usually for a period of months or years: »Repayments can be spread over two years. Main Entry: ↑spread … Financial and business terms
spread payments — spread payments/repayments/costs ► FINANCE to make regular payments towards the total cost of something, usually for a period of months or years: »Repayments can be spread over two years. Main Entry: ↑spread … Financial and business terms
spread payments/repayments/costs — ► FINANCE to make regular payments towards the total cost of something, usually for a period of months or years: »Repayments can be spread over two years. Main Entry: ↑spread … Financial and business terms
spread repayments — spread payments/repayments/costs ► FINANCE to make regular payments towards the total cost of something, usually for a period of months or years: »Repayments can be spread over two years. Main Entry: ↑spread … Financial and business terms
spread repayments/costs — spread payments/repayments/costs ► FINANCE to make regular payments towards the total cost of something, usually for a period of months or years: »Repayments can be spread over two years. Main Entry: ↑spread … Financial and business terms
Spread Eagle, Wisconsin — Infobox Settlement name =Spread Eagle official name = other name = native name = nickname = settlement type =Unincorporated Community total type = motto = imagesize = image caption = flag size = image seal size = image shield = shield size =… … Wikipedia
Spread of Islam — This article is about followers of the Islamic faith. For territories under Muslim rule, see Muslim conquests. For religions conversion to Islam, see Religious conversion … Wikipedia
Spread Eagle Barrens State Natural Area — Infobox Settlement name =Spread Eagle Barrens State Natural Area official name = other name = native name = nickname = settlement type =Wisconsin State Natural Area total type = motto = imagesize = image caption = pushpin pushpin label position… … Wikipedia
spread — spread1 W2S2 [spred] v past tense and past participle spread ▬▬▬▬▬▬▬ 1¦(affect more people/places)¦ 2¦(information/ideas)¦ 3¦(open/arrange)¦ 4¦(throughout an area)¦ 5¦(soft substance)¦ 6¦(arms/fingers etc)¦ 7¦(over time)¦ 8¦(share)¦ … Dictionary of contemporary English
Spread spectrum — Passband modulation v · d · e Analog modulation AM · … Wikipedia
spread — The price difference between two related markets or commodities. Chicago Board of Trade glossary l) Positions held in two different futures contracts, taken to profit from the change in the difference between the two contracts prices; e.g., long… … Financial and business terms
Spread — 1. The difference between the bid and the ask price of a security or asset. 2. An options position established by purchasing one option and selling another option of the same class but of a different series. 1. The spread for an asset is… … Investment dictionary
Total Chaos — Infobox VG| title = Total Chaos developer = Team Chaos publisher = Aminet designer = Team Chaos programmer = James Conwell engine = The Chaos Engine released = 2003 ( Total Chaos 5: Battle at the Frontier of Time ) 2006 ( Total Chaos 6: The… … Wikipedia
Total Spectrum Solar Concentrator — A Total Spectrum Solar Concentrator is a device used to optimise the efficiency of solar power. The suns rays are first concentrated using parabolic mirrors or a fresnel lens, and then spread out into a light spectrum via a prism. Each different… … Wikipedia
Mature Outdoor Blowjob
Sensual Sammie
Nudist Mom Pics
Sexwife Double Penetration The House
Sensual Massage Video
