標(biāo)題: Titlebook: Quantum Chemistry of Solids; LCAO Treatment of Cr Robert A. Evarestov Book 2012Latest edition Springer-Verlag Berlin Heidelberg 2012 Hartre [打印本頁(yè)] 作者: 不同 時(shí)間: 2025-3-21 16:11
書(shū)目名稱Quantum Chemistry of Solids影響因子(影響力)
書(shū)目名稱Quantum Chemistry of Solids影響因子(影響力)學(xué)科排名
書(shū)目名稱Quantum Chemistry of Solids網(wǎng)絡(luò)公開(kāi)度
書(shū)目名稱Quantum Chemistry of Solids網(wǎng)絡(luò)公開(kāi)度學(xué)科排名
書(shū)目名稱Quantum Chemistry of Solids被引頻次
書(shū)目名稱Quantum Chemistry of Solids被引頻次學(xué)科排名
書(shū)目名稱Quantum Chemistry of Solids年度引用
書(shū)目名稱Quantum Chemistry of Solids年度引用學(xué)科排名
書(shū)目名稱Quantum Chemistry of Solids讀者反饋
書(shū)目名稱Quantum Chemistry of Solids讀者反饋學(xué)科排名
作者: ARBOR 時(shí)間: 2025-3-21 23:40
Introductionature of these fields is also the use of the LCAO (linear combination of atomic orbitals) approximation: being from the very beginning the fundamental principle of molecular quantum chemistry, LCAO only recently became the basis of the first-principles calculations for periodic systems.作者: 等待 時(shí)間: 2025-3-22 02:59 作者: 統(tǒng)治人類 時(shí)間: 2025-3-22 07:00
Space Groups and Crystalline Structuress irreducible representations. The group G includes both translations, operations from the point groups of symmetry and combined operations. The application of symmetry transformations means splitting all space into systems of equivalent points known also as Wyckoff positions in crystals, irrespecti作者: radiograph 時(shí)間: 2025-3-22 12:35
LCAO Calculations of Perfect-Crystal Propertiesproperties and properties, defined by the total energy and its derivatives; and the magnetic ordering in crystals. We demonstrate that the use of hybrid exchange-correlation functional allows reproducing the equilibrium volumes and structural, electronic, dielectric, and vibrational properties of pa作者: Militia 時(shí)間: 2025-3-22 13:17 作者: 運(yùn)動(dòng)性 時(shí)間: 2025-3-22 20:07
Surface Modeling in LCAO Calculations of Metal Oxidesnic structure of surface states of crystals, three basic approaches are used: the cluster, slab (single and periodic), and semi-infinite crystal models. In the . model, a crystal with a surface is approximated by a slab of finite thickness. The symmetry group of this model (diperiodic or layer group作者: ferment 時(shí)間: 2025-3-22 23:58 作者: crumble 時(shí)間: 2025-3-23 04:03 作者: Mortar 時(shí)間: 2025-3-23 06:09
Space Groups and Crystalline Structuresttice parameters and additional data if there exist occupied Wyckoff positions with free parameters in the coordinates. We briefly discuss the 15 crystal-structure types ordered by the space-group index.作者: 無(wú)脊椎 時(shí)間: 2025-3-23 11:23
LCAO Calculations of Perfect-Crystal Propertiesation on the low-temperature behavior that is not easy to obtain by experimental techniques. The efficiency of the LCAO method in the quantum mechanics–molecular dynamics approach to the interpretation of X-ray absorption is illustrated using perovskite and ReO. examples.作者: 允許 時(shí)間: 2025-3-23 16:11 作者: Omnipotent 時(shí)間: 2025-3-23 19:05
Robert A. Evarestov needs inChina and other developing countries. The book may facilitate our understanding on the complex determinants and implications of the rising prevalence of mental health disorders in developing countries 978-981-99-4211-4978-981-99-4209-1Series ISSN 2731-4006 Series E-ISSN 2731-4014 作者: cardiovascular 時(shí)間: 2025-3-24 02:00 作者: HALL 時(shí)間: 2025-3-24 03:56 作者: 突變 時(shí)間: 2025-3-24 07:07
success. However, it is equally true that in other cases free trade has been the object of criticism, rather than praise. In the Fifties and Sixties free trade had been widely blamed for poverty and economic backwardness in the so-called Third World. As recently as in the 1980s, free trade was often作者: 四指套 時(shí)間: 2025-3-24 10:52 作者: 美麗的寫 時(shí)間: 2025-3-24 16:02 作者: Palliation 時(shí)間: 2025-3-24 19:47
Robert A. Evarestovfocuses on the issues, propositions and conclusions that lend themselves to the only known scientific test: empirical verification. Thus, this book is not about what socialism or capitalism could have been, should have been, or should be. Nor is it an ode to capitalism. Its purpose is not to assert 作者: Mortal 時(shí)間: 2025-3-25 00:36
Robert A. Evarestoveir principals; in particular, agents can be removed, and the realm of their authority can be modified. And when the principal-agent relationship becomes blurred, the free-market economy slides towards the mixed-economy pattern, or towards the command-economy model.作者: 公式 時(shí)間: 2025-3-25 03:26 作者: Ptsd429 時(shí)間: 2025-3-25 09:01 作者: Friction 時(shí)間: 2025-3-25 15:08
Robert A. Evarestovong. Once a song has been recorded, released, and registered with a PRO, the songwriter/composer then expects a flow of income from the performance rights attached to the composition. In this monograph we sometimes treat the author, composer, and lyricist as a single entity, calling him or her a son作者: Badger 時(shí)間: 2025-3-25 19:43 作者: 王得到 時(shí)間: 2025-3-25 23:43 作者: 比賽用背帶 時(shí)間: 2025-3-26 01:31 作者: Exclude 時(shí)間: 2025-3-26 06:54 作者: 苦笑 時(shí)間: 2025-3-26 11:21
Robert A. Evarestovo had made major investments in both comparative economics and NATO was to look for a new job. It was time to say: comparative economic systems are dead, long live comparative economic systems. The purpose of this book is to redirect study of what we called comparative economic systems toward analys作者: 胰島素 時(shí)間: 2025-3-26 12:57
Robert A. Evarestovsonal satisfaction as consumers and owners of production factors, profits as producers. To this purpose, agents generate and exchange information. They create suitable institutional arrangements in order to ease interaction, to assign, protect and trade property rights; and they also agree on transf作者: 可忽略 時(shí)間: 2025-3-26 18:40 作者: 抑制 時(shí)間: 2025-3-26 23:22 作者: Explicate 時(shí)間: 2025-3-27 02:42 作者: pacific 時(shí)間: 2025-3-27 07:12 作者: instulate 時(shí)間: 2025-3-27 09:58
Robert A. Evarestovgwriter and the publisher. In this chapter, we look at the songwriter from the perspective of creative and business processes involved in making music. The creative process for a songwriter starts with the song and will involve many months of intense planning, writing, and rewriting. In the highly c作者: 很是迷惑 時(shí)間: 2025-3-27 13:56 作者: candle 時(shí)間: 2025-3-27 18:22
Modeling and LCAO Calculations of Point Defects in Crystalsof a solid solution, the single-defect model is not appropriate as the stoichiometry change is introduced by a regular substitution of the host-crystal atoms by those of other chemical species. In this case the periodic (supercell) point-defect model is more appropriate.作者: Arbitrary 時(shí)間: 2025-3-28 00:25
978-3-642-43041-1Springer-Verlag Berlin Heidelberg 2012作者: 充滿裝飾 時(shí)間: 2025-3-28 03:05
Quantum Chemistry of Solids978-3-642-30356-2Series ISSN 0171-1873 Series E-ISSN 2197-4179 作者: GEST 時(shí)間: 2025-3-28 07:13 作者: 釋放 時(shí)間: 2025-3-28 12:51 作者: 使困惑 時(shí)間: 2025-3-28 15:31
Symmetry and Localization of Crystalline OrbitalsThe quantum chemistry of solids mainly deals with those physical and chemical properties of solids that depend on the electronic structure.作者: adipose-tissue 時(shí)間: 2025-3-28 22:22
Hartree–Fock LCAO Method for Periodic SystemsThe extension of one–electron approximation (restricted, unrestricted, and restricted open–shell one–determinant Hartree–Fock methods) to periodic systems is discussed.作者: 名次后綴 時(shí)間: 2025-3-29 00:10
Electron Correlations in Molecules and CrystalsThe basic principles of CI, MCSCF, and CC post-HF methods for molecules with regard to the electron correlation effects are discussed. These methods are directly extended to the crystalline solids in the framework of the molecular cluster model.作者: 說(shuō)笑 時(shí)間: 2025-3-29 04:18
Semiempirical LCAO Methods for Molecules and Periodic SystemsThe limitations of the first-principles HF LCAO calculations of the periodic systems are caused mainly by the necessity to evaluate of multicenter two-electron integrals whose number grows proportionally as N4 (N is the number of AOs used).作者: 閃光你我 時(shí)間: 2025-3-29 10:12 作者: 興奮過(guò)度 時(shí)間: 2025-3-29 14:21
Basis Sets and Pseudopotentials in Periodic LCAO CalculationsThe following three approaches to the basis-set choice define three types of methods of electronic-structure calculations in crystals : atomic-sphere (AS) methods, planewave (PW) methods, and localized atomic-like orbitals (LCAO) methods.作者: Hormones 時(shí)間: 2025-3-29 18:04
LCAO Calculations on Uranium NitridesThe pseudopotentials constructed in relativistic calculations for free atoms (relativistic core pseudopotentials—RCP) are used in the scalar-relativistic calculations of molecules and crystals, on the assumption that RCP rather accurately reflects one-electron states and properties of a system.作者: Notify 時(shí)間: 2025-3-29 21:51
Symmetry and Modeling of BN, TiO2, and SrTiO3 NanotubesThe commensurate line groups (also called monoperiodic groups) are symmetry groups of three-dimensional objects translationally periodic along a line-stereoregular polymers, nanotubes, and nanorods. The symmetry groups of nanoribbons and nanowires (75 rod groups) form a finite subset of an infinite number of line groups.作者: 嗎啡 時(shí)間: 2025-3-29 23:54
Robert A. EvarestovBasic theoretical book or low dimensional systems and nanostructures (surfaces, nanotubes, point defects).Explains the efficiency of scalar-relativistic LCAO method for solids.Describes phase transiti作者: 混雜人 時(shí)間: 2025-3-30 08:00 作者: 失眠癥 時(shí)間: 2025-3-30 11:21 作者: dearth 時(shí)間: 2025-3-30 13:50 作者: breadth 時(shí)間: 2025-3-30 19:29 作者: AGONY 時(shí)間: 2025-3-30 22:01
2634-6478 in the work of a range of major European modernists (including Joyce, Kafka, Lawrence, Mann, Proust and Rilke) as well as in that of some less-well-known figures of the period such as Dujardin and Jahnn.978-1-349-44035-1978-1-137-03030-6Series ISSN 2634-6478 Series E-ISSN 2634-6486
