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NO.1性原理是计算物理学上的术语概念，表示根据原子核和电子相互作用的原理及其基本运动规律，运用量子力学原理，从具体要求出发，经过一些近似处理后直接求解薛定谔方程的算法。
本套资源收集整理了100本经典NO.1性原理丛书中英文电子书PDF合集，百度网盘分享，文件大小共1.5G，包含量子化学/计算科学/从头算动力学/密度泛函理论……等书籍
目录如下
├─100本NO.1性原理经典工具书 [文件夹大小:1.55 GB 子文件夹数: 1 子文件数: 99]
1│ ├─Density Functional Theory：A Practical Introduction [文件夹大小:10.43 MB 子文件夹数: 0 子文件数: 12]
2│ │ │ index.pdf (111.5 KB)
2│ │ │ fmatter.pdf (173.02 KB)
2│ │ │ ch9.pdf (735.2 KB)
2│ │ │ ch8.pdf (484.8 KB)
2│ │ │ ch7.pdf (1.27 MB)
2│ │ │ ch6.pdf (1.03 MB)
2│ │ │ ch5.pdf (538.66 KB)
2│ │ │ ch4.pdf (4.42 MB)
2│ │ │ ch3(1).pdf (557.51 KB)
2│ │ │ ch2.pdf (397.67 KB)
2│ │ │ ch10(1).pdf (378.24 KB)
2│ │ │ ch1.pdf (432.17 KB)
1│ │ 中文密度泛函理论概述.pdf (173.88 KB)
1│ │ 中文版Exploring Chemistry with Electronic Structure Methods, I. B. Foresman and A. Frisch.pdf (175.2 KB)
1│ │ 中文版-Density Functional Theory A Practical Introduction.pdf (29.68 MB)
1│ │ 英文版Exploring Chemistry with Electronic Structure Methods, I. B. Foresman and A. Frisch.pdf (11.52 MB)
1│ │ 英文版-Density Functional Theory A Practical Introduction.pdf (1.99 MB)
1│ │ 密度泛函理论的概念.pdf (907.8 KB)
1│ │ 密度泛函理论.pdf (43.26 MB)
1│ │ 量子化学-基本原理和从头计算法 徐光宪 黎乐民 王德民 科学出版社，2001.pdf (40.67 MB)
1│ │ 量子化学(唐敖庆).pdf (8.38 MB)
1│ │ 计算化学
1│ │ 计算化学
1│ │ 计算材料学基础.pdf (6.25 MB)
1│ │ 固态原子和能带结构-Atomic and Electronic Structure of Solids.pdf (9.08 MB)
1│ │ 电子结构理论与计算-李震宇.pdf (1.12 MB)
1│ │ NO.1性原理入门的好教材The_ABC_of_DFT.pdf (2.55 MB)
1│ │ NO.1性原理的葵花宝典-电子结构理论与计算.pdf (1.06 MB)
1│ │ 从头算动力学方法.pdf (1.41 MB)
1│ │ 从头算动力学(剑桥出版社).pdf (2.69 MB)
1│ │ Waves and Oscillations_A Prelude to Quantum Mechanics.pdf (5.18 MB)
1│ │ Walter Kohn故事集.pdf (4.58 MB)
1│ │ Topological insulators.pdf (5.4 MB)
1│ │ Time Dependent Density Functional Theory (Springer, 2006).pdf (12.09 MB)
1│ │ The fundamentals of Density Functional Theory H. Eschrig.pdf (99 KB)
1│ │ The Fundamentals of Density Functional Theory 2ed.pdf (1.24 MB)
1│ │ The dynamic mean-field density functional method and its application.pdf (901.63 KB)
1│ │ The ABC of DFT.pdf (2.56 MB)
1│ │ TD-DFT.pdf (1.79 MB)
1│ │ Solid State Physics by Steven H. Simon 2011.pdf (5.57 MB)
1│ │ Solid State Physics by Chetan Nayak 2000.pdf (386.59 KB)
1│ │ Solid State and Quantum Theory For Optoelectronics.pdf (9.74 MB)
1│ │ Science：关于密度泛函重复性的新文章.pdf (1.15 MB)
1│ │ Science：从理论出发，重新认识和设计新材料!.pdf (372.84 KB)
1│ │ Science：测试了各种固体电子结构计算软件的计算精度和可重复性，对大家选取软件和计算参数有参考性.pdf (1.12 MB)
1│ │ Quantum_Theory_A_Two-Time_Success_Story_2014.pdf (4.79 MB)
1│ │ Quantum Chemistry (Fifth Ed.) Ira N. Levine Prentice Hall, Inc. 2000.pdf (69.27 MB)
1│ │ Properties of graphene
1│ │ Principles of the Theory of Solids, J. M. Ziman, 2ed.pdf (31.93 MB)
1│ │ Practical_relativity_from_first_principles_to_the_theory_of_gravity_2011.pdf (2.25 MB)
1│ │ Physical_properties_of_crystals.djvu (6.53 MB)
1│ │ Phase_Transformations_of_Elements_Under_High_Pressure.pdf (2.64 MB)
1│ │ Parr R., Yang W. Density functional theory of atoms and molecules.djvu (9.51 MB)
1│ │ NONEQUILIBRIUM QUANTUM TRANSPORT PHYSICS IN NANOSYSTEMS.pdf (6.65 MB)
1│ │ Neil W. Ashcroft, N. DavidMermin- Solid_State_Physics.djvu (13.46 MB)
1│ │ Molecular_Magnetism.pdf (40.86 MB)
1│ │ Molecular moldelling.pdf (43.22 MB)
1│ │ Modern_Methods_of_Crystal_Structure_Prediction._John_Wiley_&_Sons._2011（英文版）.pdf (10.94 MB)
1│ │ Modern Quantum Chemistry.Intro to Advanced Electronic Structure Theory .pdf (29.41 MB)
1│ │ Modern Quantum Chemistry an introduction to advanced electronic structure theory A. Szabo and N. S. Ostlund,.pdf (29.03 MB)
1│ │ Modeling_materials_using_density_functional_theory.pdf (3.22 MB)
1│ │ Kohn获诺贝尔奖时的演讲，对DFT理论的来龙去脉的较系统的介绍.pdf (2.24 MB)
1│ │ Jensen_Introduction to Computational Chemistr.pdf (9.9 MB)
1│ │ Introduction_to_Graphene-Based_Nanomaterials-_From_Electronic_Structure_to_Quantum_Transport.pdf (17.56 MB)
1│ │ Handbook_of_Materials_Modeling.pdf (42.31 MB)
1│ │ Greens_Functions_in_Quantum_Physics.pdf (3.79 MB)
1│ │ Fundamentals of Time-Dependent Density Functional Theory.pdf (7.99 MB)
1│ │ From_quantum_to_classical_molecular_dynamics__Reduced_models_and_numerical_analysis.pdf (1.2 MB)
1│ │ First-Principles计算之前保证计算可信的必要工作.pdf (1.69 MB)
1│ │ finding the electronic ground state.pdf (246.52 KB)
1│ │ Essentials of Computational Chemistry Theories and Models 第二版.pdf (13.06 MB)
1│ │ Energy_Density_Functional_Theory_of_Many-Electron_Systems.pdf (22.58 MB)
1│ │ Electronic Transport In Mesoscopic Systems.pdf (12.11 MB)
1│ │ Electronic Structure – Basic Theory and Practical Methods【R.M.Martin】.pdf (581.92 MB)
1│ │ Dreizler R.M., Gross E.K.U. Density functional theory (Springer, 1990)(K)(T)(317s)_PQm_.pdf (11.53 MB)
1│ │ Discovering Chemistry with Natural Bond Orbitals.pdf (7.11 MB)
1│ │ DFT密度泛函理论.pdf (29.68 MB)
1│ │ Density_Functional_Theory_in_Quantum_Chemistry_2014.pdf (2.8 MB)
1│ │ Density_Functional_Theory.pdf (25.82 MB)
1│ │ Density_Functional_Methods_In_Physics_1985.pdf (17.06 MB)
1│ │ Density Functionals for Non-relativistic John Perdew Coulomb Systems in the New Century.pdf (4.58 MB)
1│ │ Density Functional Theory_Ruben Perez.pdf (3.07 MB)
1│ │ Density Functional Theory_An Advanced Course.djvu (2.85 MB)
1│ │ Density functional theory-a practical introduction.pdf (1.99 MB)
1│ │ Density Functional Theory of Electronic Structure- A Short Course for Mineralogists and Geophysicists.pdf (561.06 KB)
1│ │ density functional theory and the LDA.pdf (718.52 KB)
1│ │ Density functional theory a practical introduction.pdf (2.02 MB)
1│ │ Day1 Density Functional Theory.pdf (634.01 KB)
1│ │ Computational_Approaches_to_Energy_Materials_(2013).pdf (6.41 MB)
1│ │ Computational Models for Polydisperse Particulate and Multiphase Systems.pdf (11.66 MB)
1│ │ Chemistry_from_First_Principles_2008.pdf (4.37 MB)
1│ │ Chemistry from First Principles.pdf (4.37 MB)
1│ │ Chemical Applications of Density-Functional Theory_1996.pdf (42 MB)
1│ │ Charles Kittel Introduction to Solid State_Physi.djvu (34.03 MB)
1│ │ Castep workshop lectures.pdf (8.48 MB)
1│ │ CALCULATED ELECTRONIC PROPERTIES OF METALS.pdf (2.11 MB)
1│ │ Birds-Eye_View_of_Density-Functional_Theory_2006.pdf (530.09 KB)
1│ │ A_primer_in_density_functional_theory_2003.pdf (3.43 MB)
1│ │ Atomic Scale Characterization and First-Principles Studies of SiN Interfaces.pdf (2.71 MB)
1│ │ Applications_of_Density_Functional_Theory_to_Chemical_Reactivity_2012.pdf (4.21 MB)
1│ │ Applications_of_Density_Functional_Theory_to_Biological_and_Bioinorganic_Chemistry_2013.pdf (5.12 MB)
1│ │ Advances In Quantum Chemistry Density Functional Theory 1998.pdf (18.69 MB)
1│ │ Advanced_Particle_Physics_Volume_I_Particles,_Fields,_and_Quantum_Electrodynamics_2011.pdf (10.1 MB)
1│ │ Advanced_Particle_Physics_Volume_II_The_Standard_Model_and_Beyond__2011.pdf (3.95 MB)
1│ │ Advanced_Mechanics__From_Eulers_Determinism_to_Arnolds_Chaos-.pdf (947.04 KB)
1│ │ Advanced Calculations for Defects in Materials_Electronic Structure Methods.pdf (5.38 MB)
1│ │ Ab Initio Organic Chemistry A survey of ground and excited states and aromaticity.pdf (1.3 MB)
1│ │ A Primer in Density Functional Theory.pdf (5.82 MB)
1│ │ A DFT Study toward the Mechanism of.pdf (425.77 KB)
1│ │ A density functional and molecular dynamics study on the physical properties of yttrium doped tantalum oxynitride.pdf (332.13 KB)
1│ │ A Chemists Guide to Density Functional Theory.pdf (3.07 MB)
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点击成为VIP 一次性打包获取本站全部资源+赠送2000T网盘群组资源（涵盖考研/考证/外刊/各知识付费平台等）+01专属代找服务
专业培训服务器技术、知识付费网站平台、引流技术、成交变现，请联系俊哥微信cksxy123，如果你想搭建像01资源一样的网站系统，请联系俊哥，从事网创行业15年，各种黑科技技术包教会，带你超越01，晋升网络大咖！整合全网超2万T百度网盘资源，撑爆你的百度网盘！
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