Related papers: Perspective: Essentials of Relativistic Quantum Ch…
The ultimate goal of electronic structure calculations is to make the left and right hand sides of the titled ``equation'' as close as possible. This requires high-precision treatment of relativistic, correlation, and quantum…
Relativistic quantum mechanics can be considered to have begun with a search for wave equations corresponding to each intrinsic spin. However, relativistic quantum physics differs fundamentally from the non-relativistic wave mechanics. It…
Precision physics aims to use atoms and molecules to test and develop the fundamental theory of matter, possibly beyond the Standard Model. Most of the atomic and molecular phenomena are described by the QED (quantum electrodynamics) sector…
The apparent impossibility of extending non-relativistic quantum mechanics to a relativistic quantum theory is shown to be due to the insufficient structural richness of the field of complex numbers over which quantum mechanics is built. A…
The rapid and successful strides in quantum chemistry in the past decades can be largely credited to a conspicuous synergy between theoretical and computational advancements. However, the architectural computer archetype that enabled such a…
In this mini-review I look into the physics underlying the theory of electronic structure of atoms and molecules. Quantum mechanics is needed to understand the structure of the periodic table. Special relativity is indispensable for a…
The purpose of this paper is to sketch an approach towards a reconciliation of quantum theory with relativity theory. It will actually be argued that these two theories ultimately rely on one another. A general operator-algebraic framework…
The combination of quantum theory and special relativity leads to structures that differ in several respects from non-relativistic quantum mechanics of particles. These differences are quite familiar to practitioners of Algebraic Quantum…
The article presents an introductory review of quantum algorithms for non-relativisitc as well as relativistic four component molecular energy calculations developed in past few years.
The rational design of molecules and materials is becoming more and more important. With the advent of powerful computer systems and sophisticated algorithms, quantum chemistry plays an important role in rational design. While traditional…
Quantum computing offers the promise of revolutionizing quantum chemistry by enabling the solution of chemical problems for substantially less computational cost. While most demonstrations of quantum computation to date have focused on…
Entanglement is nowadays considered as a key quantity for the understanding of correlations, transport properties, and phase transitions in composite quantum systems, and thus receives interest beyond the engineered applications in the…
The phenomenon of quantum entanglement is thoroughly investigated, focussing especially on geometrical aspects and on bipartite systems. After introducing the formalism and discussing general aspects, some of the most important separability…
I study how to apply relativistic quantum field theory to condensed matter systems. The motivation for this is examined and then two separate elements are considered. First we identify the precise relationship between relativistic and…
Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced,…
These are six papers joined by the same title. The main topics are: 1. algebraic nature of quantization of relativistic fields, 2. constructive definition of space of states of quantum electromagnetic field, 3. structure of space of states…
Quantum coherence, incompatibility, and quantum correlations are fundamental features of quantum physics. A unified view of those features is crucial for revealing quantitatively their intrinsic connections. We define the relative quantum…
We discuss the status and some perspectives of relativistic quantum physics.
A recent development in quantum chemistry has established the quantum mutual information between orbitals as a major descriptor of electronic structure. This has already facilitated remarkable improvements of numerical methods and may lead…
One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phenomena like: high temperature superconductivity, solid-state…