標(biāo)題: Titlebook: Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials; Cesare Pisani Book 1996 Springer-Verlag Berlin Heidel [打印本頁] 作者: Conformist 時(shí)間: 2025-3-21 16:12
書目名稱Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials影響因子(影響力)
書目名稱Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials影響因子(影響力)學(xué)科排名
書目名稱Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials網(wǎng)絡(luò)公開度
書目名稱Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials被引頻次
書目名稱Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials被引頻次學(xué)科排名
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書目名稱Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials年度引用學(xué)科排名
書目名稱Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials讀者反饋
書目名稱Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials讀者反饋學(xué)科排名
作者: FAWN 時(shí)間: 2025-3-21 21:56 作者: STERN 時(shí)間: 2025-3-22 04:10 作者: 閑逛 時(shí)間: 2025-3-22 05:14 作者: 小臼 時(shí)間: 2025-3-22 11:22
Ab-Initio Approaches to the Quantum-Mechanical Treatment of periodic Systems,A general overview is proposed of the different strategies that are currently adopted for the . study of the electronic structure of periodic systems.作者: Androgen 時(shí)間: 2025-3-22 15:15
Numerical Integration in Density Functional Methods with Linear Combination of Atomic Orbitals,The generalization of Becke’s numerical integration scheme to periodic functions is presented, which allows the LCAO-Kohn-Sham equations for crystals to be solved efficiently. The computational implementation of the scheme and its calibration are briefly discussed.作者: 玩笑 時(shí)間: 2025-3-22 20:02
Hartree-Fock Treatment of Spin-Polarized Crystals,A brief introduction to the Hartree-Fock method for spin-polarized crystalline systems is presented, together with a description of a few applications.作者: justify 時(shí)間: 2025-3-22 23:41 作者: 彩色 時(shí)間: 2025-3-23 03:36
The CRYSTAL code,The structure of the CRYSTAL code is analysed. This code permits the calculation of the wavefunction and properties of crystalline systems, using a Hartree-Fock Linear-Combination-of-Atomic-Orbitals (HF-LCAO) approximation. Both the theory and the practical implementation of the equations are discussed.作者: 邪惡的你 時(shí)間: 2025-3-23 07:45
Total Energy and Related Properties,Computational aspects related to the evaluation of total energy and energy-related properties with quantum mechanical programs are discussed; examples are reported, with reference to the Hartree-Fock periodic LCAO CRYSTAL code.作者: 阻礙 時(shí)間: 2025-3-23 09:50
Reciprocal Space Integration and Special-Point Techniques, explained and an example of its application to the fcc lattice is discussed. Several convergence tests performed with the PWSCF code are presented. The problem of sampling the Fermi surface in metallic systems is briefly discussed.作者: 西瓜 時(shí)間: 2025-3-23 13:59 作者: 話 時(shí)間: 2025-3-23 18:16 作者: 手工藝品 時(shí)間: 2025-3-24 01:46 作者: CHAR 時(shí)間: 2025-3-24 04:38 作者: 巨碩 時(shí)間: 2025-3-24 10:06
Mauro Causàch as the crisis of agrarian transition, agrarian markets and distributive justice, employment growth and transition to non-agriculture sectors, fiscal policy, external factors in economic transformation, and perspectives on rejuvenating the state’s economy..978-981-10-9101-8978-981-10-0197-0Series ISSN 2198-0012 Series E-ISSN 2198-0020 作者: inundate 時(shí)間: 2025-3-24 10:40
Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials作者: CHIDE 時(shí)間: 2025-3-24 18:43
disruption, technical innovation and their effect on manufacturing, consumers, businesses, and sustainability. It is essential reading for students, academics, executives, and business persons wanting in-depth coverage of the economic landscape in Asia.?.978-3-319-86511-9978-3-319-58928-2作者: 臭名昭著 時(shí)間: 2025-3-24 22:20
Davide Viterbo disruption, technical innovation and their effect on manufacturing, consumers, businesses, and sustainability. It is essential reading for students, academics, executives, and business persons wanting in-depth coverage of the economic landscape in Asia.?.978-3-319-86511-9978-3-319-58928-2作者: 是貪求 時(shí)間: 2025-3-25 02:54 作者: 物質(zhì) 時(shí)間: 2025-3-25 07:00
Cesare Pisanial credit set up to thwart such practices. The study thus traces in general the growth trajectory of the agrarian credit structure in Punjab, while also reflecting on the presence of interlinked credit transactions. The features and impact of such transactions have been documented using empirical da作者: landmark 時(shí)間: 2025-3-25 11:04
Andrea Dal Corsoal credit set up to thwart such practices. The study thus traces in general the growth trajectory of the agrarian credit structure in Punjab, while also reflecting on the presence of interlinked credit transactions. The features and impact of such transactions have been documented using empirical da作者: 涂掉 時(shí)間: 2025-3-25 13:28
Edoardo Apràal credit set up to thwart such practices. The study thus traces in general the growth trajectory of the agrarian credit structure in Punjab, while also reflecting on the presence of interlinked credit transactions. The features and impact of such transactions have been documented using empirical da作者: GIBE 時(shí)間: 2025-3-25 16:41
Nicholas M. Harrisonal credit set up to thwart such practices. The study thus traces in general the growth trajectory of the agrarian credit structure in Punjab, while also reflecting on the presence of interlinked credit transactions. The features and impact of such transactions have been documented using empirical da作者: COMMA 時(shí)間: 2025-3-25 23:04 作者: Terminal 時(shí)間: 2025-3-26 03:25 作者: FAST 時(shí)間: 2025-3-26 08:02 作者: 骨 時(shí)間: 2025-3-26 10:04 作者: 歡笑 時(shí)間: 2025-3-26 14:00
Michele Cattir does not gain more, and there seemingly is no better choice in urban China, which means the disguised unemployment hypothesis is supported. It also indicated that the liquidity constraint problem may be a main obstruction factor for the new business creation and innovation in China.作者: left-ventricle 時(shí)間: 2025-3-26 20:36 作者: 沒有準(zhǔn)備 時(shí)間: 2025-3-26 22:10
Book 1996nce of their application in material sciences and solid-state physics. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals. Three d作者: Seizure 時(shí)間: 2025-3-27 01:11
Macroscopic Dielectric Polarization: Hartree-Fock Theory, discussing a possible implementation in a localized basis set. The final section of this Chapter addresses a somewhat separate issue, namely the computation of a macroscopic dielectric constant from linear-response theory, in a periodic solid.作者: Leisureliness 時(shí)間: 2025-3-27 06:04
A Pseudopotential Plane Waves Program (PWSCF) and some Case Studies,s: a semiconductor, silicon; an insulator, NaCl; and a metal, aluminium. For each system, we compute the total energy, the band structure and the electronic charge density. Examples of calculations of the lattice constants and of the bulk modulus are also given. Several practical issues which were encountered in these calculations are discussed.作者: morale 時(shí)間: 2025-3-27 10:41 作者: IRS 時(shí)間: 2025-3-27 15:35 作者: COMA 時(shí)間: 2025-3-27 21:01 作者: Nutrient 時(shí)間: 2025-3-28 01:43
Book 1996mistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals. Three different programs which are available to all interested potential users on request are presented.作者: 疼死我了 時(shí)間: 2025-3-28 04:04
0342-4901 uantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals. Three different programs which are available to all interested potential users on request are presented.978-3-540-61645-0978-3-642-61478-1Series ISSN 0342-4901 Series E-ISSN 2192-6603 作者: Sad570 時(shí)間: 2025-3-28 09:04
0342-4901 nd competence of their application in material sciences and solid-state physics. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystal作者: dithiolethione 時(shí)間: 2025-3-28 11:11
Reciprocal Space Integration and Special-Point Techniques, explained and an example of its application to the fcc lattice is discussed. Several convergence tests performed with the PWSCF code are presented. The problem of sampling the Fermi surface in metallic systems is briefly discussed.作者: BLAZE 時(shí)間: 2025-3-28 15:29 作者: 輕率的你 時(shí)間: 2025-3-28 20:01
A Pseudopotential Plane Waves Program (PWSCF) and some Case Studies,nctional theory (DFT) using the local density approximation (LDA). The orbitals are expanded in a plane wave basis set and the cores are described by norm-conserving pseudopotentials. The theory and the implementation of the equations are discussed. We present three examples of applications to solid作者: definition 時(shí)間: 2025-3-28 23:08 作者: 嘲弄 時(shí)間: 2025-3-29 04:06
Loss of Symmetry in Crystals: Surfaces and Local Defects,cial attention is given to projected band structures and to the possible appearance of surface or defect states. The (111) surface of silicon and substitutional impurities in silicon are used as examples.作者: CRUMB 時(shí)間: 2025-3-29 08:42 作者: 恫嚇 時(shí)間: 2025-3-29 14:13
Macroscopic Dielectric Polarization: Hartree-Fock Theory,ic quantum phase of the crystalline Bloch orbitals. This modern theory only concerns polarization differences in zero electric field and cope, therefore, with lattice dynamics, piezoelectricity and ferroelectricity. So far, the geometric-phase theory has been formulated and implemented within the de作者: 合法 時(shí)間: 2025-3-29 17:06
The Hubbard Models and Superconductivity,h T. superconductivity, reviewing its properties both on crystals defined by conventional point groups and on non-Euclidean lattices. We also study the metal-insulator transition of the Hubbard model by treating the hopping term between adjacent 1-D chains in the frame of a fermionic linearization s作者: Fibrin 時(shí)間: 2025-3-29 23:44
spective.Offers practical case studies and insight from inveThis book examines the uneven economy in Asia, showing how the pace of economic transformation affects prosperity and the emerging middle class. Using the Lewis turning point and the long run cycle of the rise and fall of nations as a frame作者: projectile 時(shí)間: 2025-3-30 02:06
Davide Viterbospective.Offers practical case studies and insight from inveThis book examines the uneven economy in Asia, showing how the pace of economic transformation affects prosperity and the emerging middle class. Using the Lewis turning point and the long run cycle of the rise and fall of nations as a frame作者: innovation 時(shí)間: 2025-3-30 07:35 作者: 作嘔 時(shí)間: 2025-3-30 08:43 作者: JECT 時(shí)間: 2025-3-30 13:08 作者: 重力 時(shí)間: 2025-3-30 20:02 作者: AVERT 時(shí)間: 2025-3-30 22:37 作者: 內(nèi)疚 時(shí)間: 2025-3-31 02:54
Nicholas M. Harrison was launched in an attempt to provide an institutional alternative to the exploitative moneylenders. Yet, providing adequate and timely institutional finance to farmers continues to be one of the most intractable problems. The focus of this paper is on the agrarian credit markets in the state of Pu作者: Blood-Clot 時(shí)間: 2025-3-31 07:45
Carla Roettiresults from taking seriously such a ‘frivolous’ topic. Equally, state interventionism in tourism has been minimalist, being restricted to general land use planning, international marketing, and registration/supervision of the standards of facilities. There are minor exceptions, such as the influent作者: 獸皮 時(shí)間: 2025-3-31 11:25 作者: 釘牢 時(shí)間: 2025-3-31 16:35
Andrea Dal Corsority systems (e.g. a Universal Public Pension Scheme) to provide security for the elderly group. However, it is pointed out that the public pension may reduce the labor supply, therefore a public pension scheme may negatively affect economic growth in the long term based on the empirical studies for作者: 集合 時(shí)間: 2025-3-31 20:45
Roberto Dovesihich are related to the country’s security and economy, the Chinese government has enforced management and control by financing preferential policies and industry entry regulations. Particularly, a set of macroeconomic stimulation policies after the global financial crisis of 2007–2008 concentrates 作者: 改進(jìn) 時(shí)間: 2025-3-31 22:12
Michele Cattiwith the economic transition and economic development, the number of self-employed workers (“.”) in urban regions increased greatly, and the labor market is segmented by the informal sector and formal sector which seems to be similar with the developed countries and other developing countries. Why i作者: 思想靈活 時(shí)間: 2025-4-1 04:35
Cesare Pisaniwith the economic transition and economic development, the number of self-employed workers (“.”) in urban regions increased greatly, and the labor market is segmented by the informal sector and formal sector which seems to be similar with the developed countries and other developing countries. Why i
