(Ilmumisaeg: 18-Oct-2024, Paperback / softback, Kirjastus: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789811292514)
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 f...Loe edasi...
(Ilmumisaeg: 18-Oct-2024, Hardback, Kirjastus: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789811291951)
This book is the first ever biography of Walter Kohn. Sir David Clary traces Kohns early life in Vienna and his dramatic escape from the Nazis on the Kindertransport to England in 1939, followed by Kohns internment as an enemy alien and his tran...Loe edasi...
(Ilmumisaeg: 08-Aug-2024, Hardback, Kirjastus: John Wiley & Sons Inc, ISBN-13: 9781394217625)
Electron density is the measure of the probability of finding an electron in a particular location in an atom or molecule. It is observable and can be measured experimentally. Density Functional Theory (DFT) is a quantum chemical computational metho...Loe edasi...
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 includ...Loe edasi...
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...Loe edasi...
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. This book investiga...Loe edasi...
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. Th...Loe edasi...
(Ilmumisaeg: 19-Jul-2023, Hardback, Kirjastus: Springer International Publishing AG, ISBN-13: 9783031223396)
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...Loe edasi...
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. Th...Loe edasi...
Sari: Lecture Notes Series, Institute for Mathematical Sciences, National University of Singapore
(Ilmumisaeg: 10-Mar-2023, Hardback, Kirjastus: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789811272141)
Density Functional Theory (DFT) first established its theoretical footing in the 1960s from the framework of Hohenberg-Kohn theorems. DFT has since seen much development in evaluation techniques as well as application in solving problems in Physics...Loe edasi...
(Ilmumisaeg: 19-Dec-2022, Hardback, Kirjastus: John Wiley & Sons Inc, ISBN-13: 9781119840862)
A concise and rigorous introduction to the applications of DFT calculations In the newly revised second edition of Density Functional Theory: A Practical Introduction, the authors deliver a concise and easy-to-follow introduction...Loe edasi...
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 characte...Loe edasi...
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 w...Loe edasi...
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...Loe edasi...
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energ...Loe edasi...
Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and understanding the molecular and electronic structure of atoms, molecules, clusters, and solids....Loe edasi...
(Ilmumisaeg: 17-Dec-2018, Hardback, Kirjastus: De Gruyter, ISBN-13: 9783110566758)
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 eng...Loe edasi...
(Ilmumisaeg: 03-Jul-2018, Hardback, Kirjastus: Apple Academic Press Inc., ISBN-13: 9781771886659)
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...Loe edasi...
Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an increasingly larger role in a number of disciplines such as chemistry, physics, material, biology, and pharmacy....Loe edasi...
