This volume features invited lectures presented in the workshop-cum-symposium on aspects of many-body effects in molecules and extended systems, Calcutta, February 1 - 10, 1988. The organizers invited leading experts to present recent developments of many-body methods as applied to molecules and condensed systems. The panorama portrayed is quite broad, but by no means exhaustive. The emphasis is undoubtedly on a "molecular point of view".
The field of atomic, molecular, and optical (AMO) science underpins many technologies and continues to progress at an exciting pace for both scientific discoveries and technological innovations. AMO physics studies the fundamental building blocks of functioning matter to help advance the understanding of the universe. It is a foundational discipline within the physical sciences, relating to atoms and their constituents, to molecules, and to light at the quantum level. AMO physics combines fundamental research with practical application, coupling fundamental scientific discovery to rapidly evolving technological advances, innovation and commercialization. Due to the wide-reaching intellectual, societal, and economical impact of AMO, it is important to review recent advances and future opportunities in AMO physics. Manipulating Quantum Systems: An Assessment of Atomic, Molecular, and Optical Physics in the United States assesses opportunities in AMO science and technology over the coming decade. Key topics in this report include tools made of light; emerging phenomena from few- to many-body systems; the foundations of quantum information science and technologies; quantum dynamics in the time and frequency domains; precision and the nature of the universe, and the broader impact of AMO science.
The second volume of Lecture Notes in Quantum Chemistry includes lectures in Hartree-Fock theory, density functional theory, coupled-cluster methods, and relativistic quantum chemistry. It also contains a problem section with solutions covering the subjects of both volumes. The two volumes constitute part of the course material of the European Summer Schools in Quantum Chemistry, organized in Sweden, every second year. The lecture notes have been written by outstanding scientists and teachers who participate in the education of students and young scientists. Taken together, the two volumes become an excellent teaching material for University courses in Theoretical Chemistry.
Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences
Brings Readers from the Threshold to the Frontier of Modern Research Many-Body Methods for Atoms and Molecules addresses two major classes of theories of electron correlation: the many-body perturbation theory and coupled cluster methods. It discusses the issues related to the formal development and consequent numerical implementation of the methods from the standpoint of a practicing theoretician. The book will enable readers to understand the future development of state-of-the-art multi-reference coupled cluster methods as well as their perturbative counterparts. The book begins with an introduction to the issues relevant to the development of correlated methods in general. It next gives a formally rigorous treatment of aspects that pave the foundation toward the theoretical development of methods capable of tackling problems of electronic correlation. The authors go on to cover perturbation theory first in a fundamental way and then in the multi-reference context. They also describe the idea of state-specific theories, Fock space-based multi-reference coupled cluster methods, and basic issues of the single-reference coupled cluster method. The book concludes with state-of-the-art methods of modern electronic structure.
This thesis investigates ultracold molecules as a resource for novel quantum many-body physics, in particular by utilizing their rich internal structure and strong, long-range dipole-dipole interactions. In addition, numerical methods based on matrix product states are analyzed in detail, and general algorithms for investigating the static and dynamic properties of essentially arbitrary one-dimensional quantum many-body systems are put forth. Finally, this thesis covers open-source implementations of matrix product state algorithms, as well as educational material designed to aid in the use of understanding such methods.
This volume gathers the invited talks of the XIII International Work shop on Condensed Matter Theories which took place in Campos do Jordao near Sao Paulo, Brazil, August 6-12, 1989. It contains contributions in a wide variety of fields including neutral quantum and classical fluids, electronic systems, composite materials, plasmas, atoms, molecules and nuclei, and as this year's workshop reflected the natural preoccupation in materials science with its spectacular prospect for mankind, room tempera ture super-conductivity. All topics are treated from a common viewpoint: that of many-body physics, whether theoretical or simu1ational. Since the very first workshop, held at the prestigious Instituto de Fisica Teorica in Sao Paulo, and organized by the same organizer of the 1989 workshop, Professor Valdir Casaca Aguilera-Navarro, the meeting has taken place annually six times in Latin America, four in Europe and three in the United States. Its principal objective has been to innitiate and nurture collaborative research networks of scientists interested in the IDultidisciplinary aspects of many-body theory applied to problems in con densed-matter physics. Financial as well as moral support is gratefully appreciated by all: of the CLAF in Rio, the CNPq in Brasilia, the FAPESP and the FUNDUNESP in Sao Paulo, and the U.S. Army Research Office in Durham, NC, USA.
