Practical aspects of computational chemistry I : an overview of the last two decades and current trends /
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 twentie...
| Other Authors: | , |
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| Format: | Book |
| Language: | English |
| Published: |
Dordrecht ; New York :
Springer,
c2012
Dordrecht ; New York : ©2012 |
| Series: | Practical aspects of computational chemistry ;
1 |
| Subjects: |
Table of Contents:
- Models-experiment-computation: a history of ideas in structural chemistry
- Many-Body Brillouin-Wigner Theories: Development and Prospects
- Multireference state-specific coupled cluster theory with a complete active space reference
- Relativistic effects in chemistry and a two-Component theory
- On the electronic, vibrational and relativistic contributions to the linear and nonlinear optical properties of molecules
- Using Chebyshev-Filtered Subspace Iteration and Windowing Methods to Solve the Kohn-Sham Problem
- Electronic structure of solids and surfaces with WIEN2k
- Model core potential method in the first decade of the XXI century
- Practical Aspects of Quantum Monte Carlo for the Electronic Structure of Molecules
- Relativistic Quantum Monte Carlo Method
- Computer Aided Nanomaterials Design
- Selfassembly, Nanooptics, Molecular electronics/spintronics, and Fast DNA sequencing
- Computational Molecular Engineering for Nanodevices and Nanosystems
- Theoretical Studies of Thymine-Thymine Photodimerization: Using Ground State Dynamics to Model Photoreaction