Practical Aspects of Computational Chemistry I An Overview of the Last Two Decades and Current Trends /

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Leszczynski, Jerzy (Επιμελητής έκδοσης), Shukla, Manoj K. (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Dordrecht : Springer Netherlands, 2012.
• Θέματα: Chemistry.; Chemistry, Physical and theoretical.; Physics.; Theoretical and Computational Chemistry.; Theoretical, Mathematical and Computational Physics.

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...

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• 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.