Theoretical and computational developments in modern density functional theory

Theoretical and Computational Developmen

📁 Theoretical and Computational Developments in Modern Density Functional Theory

✍ Amlan K. Roy (ed.) 📂 Library 📅 2013 🏛 Nova Science Publishers, Inc. 🌐 English

Modern day's electronic structure theory of molecules, solids, materials, biomolecules, etc., heavily depends on the astounding success of density functional theory (DFT). Ever since its inception, the theory has come a long way. Despite the fact that there are many disconcerting open questions yet

Recent Developments and Applications of

📁 Recent Developments and Applications of Modern Density Functional Theory

✍ J.M. Seminario (Eds.) 📂 Library 📅 1996 🏛 Elsevier Science 🌐 English

The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in this volume. Knowing the behavior of atoms and molecules provides a sure avenue for the design of new materials with specific features and pr

Recent Developments and Applications of

📁 Recent Developments and Applications of Modern Density Functional Theory

✍ J.M. Seminario (Eds.) 📂 Library 📅 1996 🏛 Elsevier, Academic Press 🌐 English

The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in this volume. Knowing the behavior of atoms and molecules provides a sure avenue for the design of new materials with specific features and pr

Density Functional Theory: An Advanced C

📁 Density Functional Theory: An Advanced Course (Theoretical and Mathematical Physics)

✍ Eberhard Engel, Reiner M. Dreizler 📂 Library 📅 2011 🏛 Springer 🌐 English

<span>Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and includin

Density Functional Theory : Modeling, Ma

📁 Density Functional Theory : Modeling, Mathematical Analysis, Computational Methods, and Applications

✍ Eric Cancès; Gero Friesecke 📂 Library 🏛 Springer International Publishing 🌐 English

Advances In Density Functional Theory

📁 Advances In Density Functional Theory

✍ Per-Olov Löwdin (Eds.) 📂 Library 📅 1998 🏛 Elsevier Science & Technology 🌐 English

Quantum mechanics can describe the detailed structure and behavior of matter, from electrons, atoms, and molecules, to the whole universe. It is one of the fields of knowledge that yield extraordinary precessions, limited only by the computational resources available. Among these methods is densit

Theoretical and computational developments in modern density functional theory

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