Theories of quantum chemistry explained via relativistic mechanics
Relativistic quantum chemistry combines relativistic mechanics with quantum chemistry to calculate elemental properties and structure, especially for the heavier elements of the periodic table. A prominent example is an explanation for the color of gold: due to relativistic effects, it is not silvery like most other metals.[1]
The term relativistic effects was developed in light of the history of quantum mechanics. Initially, quantum mechanics was developed without considering the theory of relativity.[2] Relativistic effects are those discrepancies between values calculated by models that consider relativity and those that do not.[3] Relativistic effects are important for heavier elements with high atomic numbers, such as lanthanides and actinides.[4]
Relativistic effects in chemistry can be considered to be perturbations, or small corrections, to the non-relativistic theory of chemistry, which is developed from the solutions of the Schrödinger equation. These corrections affect the electrons differently depending on the electron speed compared with the speed of light. Relativistic effects are more prominent in heavy elements because only in these elements do electrons attain sufficient speeds for the elements to have properties that differ from what non-relativistic chemistry predicts.[5]
^Pekka Pyykkö (January 2012). "Relativistic Effects in Chemistry: More Common Than You Thought". Annual Review of Physical Chemistry. 63 (1): 45–64. Bibcode:2012ARPC...63...45P. doi:10.1146/annurev-physchem-032511-143755. PMID 22404585.
^Kleppner, Daniel (1999). "A short history of atomic physics in the twentieth century" (PDF). Reviews of Modern Physics. 71 (2): S78–S84. Bibcode:1999RvMPS..71...78K. doi:10.1103/RevModPhys.71.S78. Archived from the original (PDF) on 2016-03-03. Retrieved 2012-07-17.
^Kaldor, U.; Wilson, Stephen (2003). Theoretical Chemistry and Physics of Heavy and Superheavy Elements. Dordrecht, Netherlands: Kluwer Academic Publishers. p. 4. ISBN 978-1-4020-1371-3.
^Kaldor, U.; Wilson, Stephen (2003). Theoretical Chemistry and Physics of Heavy and Superheavy Elements. Dordrecht, Netherlands: Kluwer Academic Publishers. p. 2. ISBN 978-1-4020-1371-3.
^Gupta, V. P. (22 October 2015). Principles and Applications of Quantum Chemistry. Elsevier Science. ISBN 978-0-12-803478-1. Retrieved 2024-01-07.
and 27 Related for: Relativistic quantum chemistry information
Quantumchemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical...
atomic physics, chemistry and condensed matter physics. Non-relativisticquantum mechanics refers to the mathematical formulation of quantum mechanics applied...
specified axis. The j number has a particular importance for relativisticquantumchemistry, often featuring in subscript in for deeper states near to the...
the mass of a system emitting a photon decreases. In relativisticquantumchemistry, relativistic mass is used to explain electron orbital contraction...
ISBN 978-9812564887. Bjorken and Drell, RelativisticQuantum Mechanics, Mcgraw-Hill College, 1965. p. 2 Messiah, Albert (1966). Quantum Mechanics. North Holland, John...
of all quantum physics, which includes quantumchemistry, quantum field theory, quantum technology, and quantum information science. Quantum mechanics...
Zbinden, H.; et al. (2001). "Experimental test of nonlocal quantum correlations in relativistic configurations". Phys. Rev. A. 63 (2): 22111. arXiv:quant-ph/0007009...
initio quantumchemistry methods are computational chemistry methods based on quantumchemistry. The term ab initio was first used in quantumchemistry by...
of the plasma frequency were reported. Electron wake Plasmon Relativisticquantumchemistry Surface plasmon resonance Upper hybrid oscillation, in particular...
Collider and the Relativistic Heavy Ion Collider, and is related to the so-called vacuum structure of strong interactions. If the quantum field theory can...
In quantum physics and chemistry, quantum numbers are quantities that characterize the possible states of the system. Quantum numbers are closely related...
Dirac's relativisticquantum theory work lead him to explore quantum theories of radiation, culminating in quantum electrodynamics, the first quantum field...
wavefunction. In nonrelativistic quantum mechanics all particles are either bosons or fermions; in relativisticquantum theories also "supersymmetric" theories...
In physics and chemistry, the spin quantum number is a quantum number (designated s) that describes the intrinsic angular momentum (or spin angular momentum...
in non-relativisticquantum mechanics. The wave functions of quantum mechanics are probability amplitudes for particular states, and so quantum mechanics...
Quantum decoherence is the loss of quantum coherence. Quantum decoherence has been studied to understand how quantum systems convert to systems which can...
In 1928 Paul Dirac produced a relativisticquantum theory of electromagnetism. This was the progenitor to modern quantum electrodynamics, in that it had...
methods of quantum mechanics apply. Computational chemists often attempt to solve the non-relativistic Schrödinger equation, with relativistic corrections...
A quantum mechanical system or particle that is bound—that is, confined spatially—can only take on certain discrete values of energy, called energy levels...
transformation, in the context of quantum mechanics, relativisticquantum mechanics and quantum field theory, and with applications in the mathematical...
physics, relativistic mechanics refers to mechanics compatible with special relativity (SR) and general relativity (GR). It provides a non-quantum mechanical...
The quantum mind or quantum consciousness is a group of hypotheses proposing that local physical laws and interactions from classical mechanics or connections...
October 2013. Schwerdtfeger, Peter; Seth, Michael (2002). "RelativisticQuantumChemistry of the Superheavy Elements. Closed-Shell Element 114 as a Case...
applied external magnetic field and the quantum numbers above are used. Defining equation (physical chemistry) List of electromagnetism equations List...
Global Information