预订 Density Functional Theory 国外库房发货，通常付款后3-5周到货
Book Description 内容简介 Demonstrates how anyone in math, science, and engineering can master DFT calculationsDensity functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and Product Details 基本信息 ISBN-13 书号 9780470373170 Author 作者 David Sholl Pages Number 页数 252页 Publication Date 出版日期 20090330 Product Dimensions 商品尺寸 0 x 0 x 0 cm
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【预订】Density Functional Theory 9783110566758 国外库房发货，通常付款后3-5周到货！
Product Details 基本信息 ISBN-13 书号 9783110566758 Format 版本 精装 Pages Number 页数 233页 Publisher 出版社 Walter de Gruyter Publication Date 出版日期 2018-12-17 Product Dimensions 商品尺寸 24,0 x 17,0 Language 语种 其它（含多语） Book Contents 内容简介 DFT methods are widely used in a broad range of disciplines to investigate many body systems. This book provides an overview on contemporary applications of the Density Functional Theory in various fields as computational chemistry, physics or engineering.
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【预售 按需印刷】Density Functional Theory 北京发货，付款后10天内发货
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【预订】Density Functional Theory I: Functionals and Effective P 美国库房发货，通常付款后3-5周到货！
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【预订】Density-Functional Theory of Atoms and Molecules 美国库房发货，通常付款后3-5周到货！
¥2974
【预订】Density Functional Theory 9781119840862 国外库房发货，通常付款后3-5周到货！
Product Details 基本信息 ISBN-13 书号 9781119840862 Author 作者 David Sholl Format 版本 精装 Pages Number 页数 224页 Publisher 出版社 Wiley Publication Date 出版日期 2022-12-29 Product Dimensions 商品尺寸 17.78 x 25.40 cm. Language 语种 其它（含多语） Book Contents 内容简介 The textbook offers a concise, easy-to-follow introduction to the key concepts and practical applications of density functional theory (DFT), focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds, including physics, chemistry and materials science. The new edition retains the successful concept of the first edition by striking a balance between brevity and detail, making it possible for the readers to digest the text in its entirety. ? The new edition: Discusses in more detail the accuracy of DFT calculations and the choice of functionals Adds an o
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【预订】Density Functional Theory of Molecules, Clusters, and So 美国库房发货，通常付款后3-5周到货！
¥1825
【预订】Density Functional Theory II: Relativistic and Time Depe 美国库房发货，通常付款后3-5周到货！
¥1825
【预订】Density Functional Theory 9783540127215 美国库房发货，通常付款后3-5周到货！
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【预订】Density Functional Theory - Recent Advances, New Perspec 国外库房发货，通常付款后3-5周到货！
Product Details 基本信息 ISBN-13 书号 9781839698453 Author 作者 Daniel Glossman-Mitnik Format 版本 平装-胶订 Pages Number 页数 330页 Publisher 出版社 Intech Publication Date 出版日期 2022-05-18 Product Dimensions 商品尺寸 9.61 x 6.69 x 0.75 Shipping Weight 商品重量 1.60 Language 语种 其它（含多语） Book Contents 内容简介 Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through d
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【预订】Density Functional Theory 9783642267185 美国库房发货，通常付款后3-5周到货！
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【预订】Density Functional Theory III: Interpretation, Atoms, Mo 美国库房发货，通常付款后3-5周到货！
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【预订】Density Functional Theory in Quantum Chemistry 978443156 美国库房发货，通常付款后3-5周到货！
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【预订】Density Functional Theory in Quantum Chemistry 978443154 美国库房发货，通常付款后3-5周到货！
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【预订】Density Functional Theory IV: Theory of Chemical Reactiv 美国库房发货，通常付款后3-5周到货！
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【预订】Density Functional Theory 9783642140891 美国库房发货，通常付款后3-5周到货！
Product Details 基本信息 ISBN-13 书号 9783642140891 Author 作者 Engel Format 版本 精装 Pages Number 页数 531页 Publication Date 出版日期 2011-02-17 Shipping Weight 商品重量 1076g Language 语种 英语 Book Contents 内容简介 Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key
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【预订】Density Functional Theory 9783031223396 国外库房发货，通常付款后3-5周到货！
Product Details 基本信息 ISBN-13 书号 9783031223396 Author 作者 Eric Cancès Format 版本 精装 Pages Number 页数 457页 Publisher 出版社 *KNV Publication Date 出版日期 2023-03-27 Language 语种 其它（含多语） Book Contents 内容简介 Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials science.Quantum mechanics describes a system of N interacting particles in the physical 3-dimensional space by a partial differential equation in 3N spatial variables. The standard numerical methods thus incur an exponential increase of computational effort with N, a phenomenon known as the curse of dimensionality; in practice these methods already fail beyond N=2.?DFT overcomes this problem by1) reformulating the N-body pro
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【预订】Density Functional Theory 美国库房发货，通常付款后3-5周到货！
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【预订】Density Functional Theory Calculations 9781838810825 国外库房发货，通常付款后3-5周到货！
Product Details 基本信息 ISBN-13 书号 9781838810825 Author 作者 Sergio Ricardo De Lazaro Format 版本 精装 Pages Number 页数 118页 Publisher 出版社 Intech Publication Date 出版日期 2021-02-03 Language 语种 其它（含多语） Book Contents 内容简介 This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of the last few years. Since 2000, the DFT has grown exponentially in several computational areas because of its versatility and reliability to calculate energy from electronic density. The fast DFT’s calculations show how scientists develop more codes focused to simulate molecular and material properties reaching better conclusions than with previous theories. More powerful computers and lower computational costs have certainly assisted the increased growth of interest in this theory. Each chapter presents a specific subject contributing to a vision of the great pot
¥1866
预订Density Functional Theory:A Practical Introduc 预订，预计下单后3-6周左右发货！
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3-6周达 Density Functional Theory: Recent Advances, New Perspe 【全球购】进口原版图书，一般3-6周左右到国内后发出
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3-6周达 Density Functional Theory in Quantum Chemistry (2014) 【全球购】进口原版图书，一般3-6周左右到国内后发出
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【3-6周达】Density Functional Theory and Experimental Study [ISB 【全球购】进口原版图书，预计3-6周左右到国内
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3-6周达 Density Functional Theory: Modeling, Mathematical Anal 【全球购】进口原版图书，预计3-6周左右到国内
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预订 Density Functional Theory I: Functionals and Effective Po 【全球购】进口原版图书，约3-6周到达国内后发出
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【3-6周达】Density Functional Theory: An Advanced Course [ISBN:9 【全球购】进口原版图书，预计3-6周左右到国内
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海外直订Density Functional Theory: Advances in Applications 密度泛函
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【3-6周达】Density Functional Theory II: Relativistic and Time D 【全球购】进口原版图书，预计3-6周左右到国内
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海外直订Density Functional Theory of Atoms, Molecules, and Solid
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海外直订Density Functional Theory: Recent Advances, New Perspect
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预订 Density Functional Theory - New Perspectives and Applicat 【全球购】进口原版图书，约3-6周到达国内后发出
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【3-6周达】Density Functional Theory of Molecules, Cluster [ISBN 【全球购】进口原版图书，预计3-6周左右到国内
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海外直订Density Functional Theory: An Advanced Course 密度泛函理论：一门高
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海外直订Density Functional Theory: An Advanced Course 密度泛函理论：一门高
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预订 Density Functional Theory: Advances in Applications [ISBN 【全球购】进口原版图书，一般5-8周左右到国内
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按需印刷Density Functional Theory of Atoms, Molecules, and Solid 预订，预计下单后2-3周左右发货！
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海外直订Density Functional Theory 密度泛函理论
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预订 Density Functional Theory IV: Theory of Chemical Reactivi 【全球购】进口原版图书，约3-6周到达国内后发出
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预订 Density Functional Theory, 物理学 [ISBN:9781475799774] 【全球购】进口原版图书，一般5-8周左右到国内后发出
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预订 Density Functional Theory [ISBN:9781789851670] 【全球购】进口原版图书，约3-6周到达国内后发出
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预订 Density Functional Theory Calculations [ISBN:978183881082 【全球购】进口原版图书，约3-6周到达国内后发出
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海外直订Density Functional Theory: Modeling, Mathematical Analys
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预订 Density Functional Theory III: Interpretation, Atoms, Mol 【全球购】进口原版图书，约3-6周到达国内后发出
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预订 Density Functional Theory: Basics and Applications 密度泛函理论 国外库房发货，通常付款后3-5周到货
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预订 Density Functional Theory: Modeling, Mathematical Analysi 国外库房发货，通常付款后3-5周到货
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3-6周达 Density Functional Theory: Modeling, Mathematical Anal 【全球购】进口原版图书，预计3-6周左右到国内
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【3-6周达】Density-Functional Theory of Atoms and Molecules [ISB 【全球购】进口原版图书，预计3-6周左右到国内
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海外直订Density Functional Theory 密度泛函理论
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3-6周达 Density Functional Theory: Basics and Applications [IS 【全球购】进口原版图书，约3-6周到达国内后发出
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【3-6周达】高被引Density Functional Theory: An Advanced Course [ISB 【全球购】进口原版图书，预计3-6周左右到国内
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【3-6周达】高被引Density Functional Theory in Quantum Chemistry [IS 【全球购】进口原版图书，预计3-6周左右到国内
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【预订】Electronic Density Functional Theory: Recent Progress an 美国库房发货，通常付款后3-5周到货！
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【预订】Nuclear Density Functional Theory 9780198517313 国外库房发货，通常付款后3-5周到货！
Product Details 基本信息 ISBN-13 书号 9780198517313 Author 作者 Petkov I. Zh. Format 版本 精装 Pages Number 页数 372页 Publisher 出版社 Oxford University Press Publication Date 出版日期 1991-08-01 Shipping Weight 商品重量 768g Language 语种 英语 Book Contents 内容简介 A summary of the material accumulated in the field of nuclear density functional theory over the last few decades. The authors develop the mathematical framework on which the theory is based and consider the associated approaches used to analyse experimental data in a variety of nuclei and nuclear processes with widely differing properties.
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【预订】Quantal Density Functional Theory 9783662570395 美国库房发货，通常付款后3-5周到货！
Product Details 基本信息 ISBN-13 书号 9783662570395 Author 作者 Sahni, Viraht(作者) Format 版本 平装-胶订 Pages Number 页数 436页 Publisher 出版社 Springer Publication Date 出版日期 1800-01-01 Product Dimensions 商品尺寸 9.2 x 6.1 x 0.8 cm Shipping Weight 商品重量 1340g Language 语种 英语
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预订 Energy Density Functional Theory of Many-Electr [ISBN:978 【全球购】进口原版图书，一般5-8周左右到国内后发出
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【预订】Quantal Density Functional Theory II 9783540922285 国外库房发货，通常付款后3-5周到货！
Product Details 基本信息 ISBN-13 书号 9783540922285 Author 作者 Viraht Sahni Format 版本 精装 Pages Number 页数 426页 Publisher 出版社 Springer Berlin Heidelberg Publication Date 出版日期 2009-11-03 Shipping Weight 商品重量 905g Language 语种 英语 Book Contents 内容简介 In my original proposal to Springer for a book on Quantal Density Functional Theory, I had envisaged one that was as complete in its presentation as possible, describing the basic theory as well as the approximation methods and a host of applications. However,after workingon the bookforabout ve years, I realizedthat the goal was too ambitious, and that I would be writing for another ?ve years for it to be achieved. Fortunately,there was a natural breakin the material, and I proposed to my editor, Dr. Claus Ascheron, that we split the book into two components: the ?rst on the basic theoretical framework, and the second on approxim
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【预订】Conceptual Density Functional Theory and Its Application 国外库房发货，通常付款后3-5周到货！
Product Details 基本信息 ISBN-13 书号 9781771886659 Author 作者 Edited by Nazmul Islam and Savas Kaya Format 版本 精装 Pages Number 页数 350页 Publisher 出版社 Apple Academic Press Publication Date 出版日期 2018-06-26 Language 语种 英语 Book Contents 内容简介 In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It also includes discussion of some applications in corrosion and conductivity and synthesis studies based on CDFT. The electronic structure principles—such as the electronegativity equalization principle, the hardness equalization principle, the electrophilicity equalization principle, and the nucleophilicity equalization principle, along studies based on these electronic structure principles—are broadly explained.
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【预订】Conceptual Density Functional Theory - Towards A New Che 国外库房发货，通常付款后3-5周到货！
Product Details 基本信息 ISBN-13 书号 9783527348435 Author 作者 Shubin Liu Format 版本 精装 Pages Number 页数 736页 Publisher 出版社 Wiley-VCH Publication Date 出版日期 2022-04-27 Product Dimensions 商品尺寸 16.83 x 24.45 cm. Language 语种 其它（含多语） Book Contents 内容简介 Edited by one of the most recognized experts in the field, Prof. Shubin Liu from the University of North Carolina, and with contributions from esteemed international experts, this reference book offers to provide bridges between theory and experiment by computational methods and to reconcile empirical with in silico obtained knowledge. The book aims to narrow the widening gap and stimulate discussions between theoreticians and experimentalists, in density functional theory (DFT), molecular orbital theory (MOT) and valence bond theory (VBT). Chapters on qualitative methods like Conceptual DFT, capable of rationalizing
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密度泛函理论 Density Functional Theory: A Practical Introduction 英
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预售 按需印刷 Density Functional Theory and Experimental 北京发货，付款后10天内发货
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