| 书目名称 | Practical Aspects of Computational Chemistry I |
| 副标题 | An Overview of the L |
| 编辑 | Jerzy Leszczynski,Manoj K. K. Shukla |
| 视频video | |
| 概述 | Written to attract newcomers to the field of computational chemistry.Free from complicated theoretical chemistry jargon.Provides rudimentary concepts required to grasp the basics.Aimed at professional |
| 图书封面 |  |
| 描述 | .Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends. gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. .This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, dev |
| 出版日期 | Book 2012 |
| 关键词 | Ab initio; DFT; Molecular mechanics; Quantum chemistry; Quantum mechanics; grand canonical ensemble; molec |
| 版次 | 1 |
| doi | https://doi.org/10.1007/978-94-007-0919-5 |
| isbn_softcover | 978-94-007-9771-0 |
| isbn_ebook | 978-94-007-0919-5 |
| copyright | Springer Science+Business Media B.V. 2012 |
发表于 2025-3-21 18:52:16
