(Išleidimo metai: 02-Oct-2024, PDF+DRM, Leidėjas: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789811291968)
Walter Kohn, 1998 Nobel Laureate in Chemistry and discoverer of the Density Functional Theory (DFT), died in 2016 at the grand age of 93. This book is the first ever biography of Kohn, who led a remarkable life and scientific career, not least the fa...Daugiau...
(Išleidimo metai: 02-Oct-2024, EPUB+DRM, Leidėjas: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789811291968)
Walter Kohn, 1998 Nobel Laureate in Chemistry and discoverer of the Density Functional Theory (DFT), died in 2016 at the grand age of 93. This book is the first ever biography of Kohn, who led a remarkable life and scientific career, not least the fa...Daugiau...
(Išleidimo metai: 06-Aug-2024, PDF+DRM, Leidėjas: Taylor & Francis Ltd, ISBN-13: 9781040099810)
The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules, includi...Daugiau...
(Išleidimo metai: 06-Aug-2024, EPUB+DRM, Leidėjas: Taylor & Francis Ltd, ISBN-13: 9781040099827)
The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules, includi...Daugiau...
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 mate...Daugiau...
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 mate...Daugiau...
This textbook covers the framework of first-principles analysis applied to materials using density functional theory (DFT). It provides a set of hands-on tutorials using the Quantum ESPRESSO package, an open-source software for DFT. The tutorials are...Daugiau...
This textbook covers the framework of first-principles analysis applied to materials using density functional theory (DFT). It provides a set of hands-on tutorials using the Quantum ESPRESSO package, an open-source software for DFT. The tutorials are...Daugiau...
(Išleidimo metai: 11-Apr-2022, EPUB+DRM, Leidėjas: Taylor & Francis Ltd, ISBN-13: 9781000567915)
This book investigates statistical observables for anomalous and nonergodic dynamics, focusing on the dynamical behaviors of particles modelled by non-Brownian stochastic processes in the complex real-world environment.Statistical observables are wid...Daugiau...
(Išleidimo metai: 11-Apr-2022, PDF+DRM, Leidėjas: Taylor & Francis Ltd, ISBN-13: 9781000567908)
This book investigates statistical observables for anomalous and nonergodic dynamics, focusing on the dynamical behaviors of particles modelled by non-Brownian stochastic processes in the complex real-world environment.Statistical observables are wid...Daugiau...
(Išleidimo metai: 12-Aug-2016, PDF+DRM, Leidėjas: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, ISBN-13: 9783662498422)
This book is on quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The time-independent QDFT constitutes a special case. The 2nd edition describes the...Daugiau...
(Išleidimo metai: 11-Jan-2016, PDF+DRM, Leidėjas: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789814733274)
This book aims to provide a detailed introduction to the state-of-the-art covariant density functional theory, which follows the Lorentz invariance from the very beginning and is able to describe nuclear many-body quantum systems microscopically and...Daugiau...
(Išleidimo metai: 11-Jan-2016, EPUB+DRM, Leidėjas: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789814733274)
This book aims to provide a detailed introduction to the state-of-the-art covariant density functional theory, which follows the Lorentz invariance from the very beginning and is able to describe nuclear many-body quantum systems microscopically and...Daugiau...
"e;Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and pe...Daugiau...
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, m...Daugiau...
This thesis exploits the ability of the linear-scaling quantum mechanical code ONETEP to analyze systems containing many thousands of atoms. By implementing an electron transport capability to the code, it also investigates a range of phenomena assoc...Daugiau...
This work addresses the computation of excited-state properties of systems containing thousands of atoms. To achieve this, the author combines the linear response formulation of time-dependent density functional theory (TDDFT) with linear-scaling tec...Daugiau...
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, m...Daugiau...
(Išleidimo metai: 16-May-2014, PDF+DRM, Leidėjas: Oxford University Press, ISBN-13: 9780191639425)
This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any...Daugiau...
(Išleidimo metai: 15-May-2014, EPUB+DRM, Leidėjas: Oxford University Press, ISBN-13: 9780191639432)
This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any...Daugiau...
