1.
Full Text
On quantum-mechanical equations of motion in representation dependent of external sources

International Journal of Modern Physics A, ISSN 0217-751X, 11/2017, Volume 32, Issue 32, p. 1750189

In the present paper, we consider in detail the aspects of the Heisenberg’s equations of motion, related to their transformation to the representation dependent of external sources...

Path integral | symbols of operators | FIELD | ELECTRODYNAMICS | PHYSICS, NUCLEAR | GRAVITY | RELATIVISTIC SYSTEMS | GAUGE-THEORIES | DYNAMICAL-SYSTEMS | 1ST-CLASS | FORMALISM | GENERALIZED CANONICAL QUANTIZATION | 2ND-CLASS CONSTRAINTS | PHYSICS, PARTICLES & FIELDS | Physics - High Energy Physics - Theory

Path integral | symbols of operators | FIELD | ELECTRODYNAMICS | PHYSICS, NUCLEAR | GRAVITY | RELATIVISTIC SYSTEMS | GAUGE-THEORIES | DYNAMICAL-SYSTEMS | 1ST-CLASS | FORMALISM | GENERALIZED CANONICAL QUANTIZATION | 2ND-CLASS CONSTRAINTS | PHYSICS, PARTICLES & FIELDS | Physics - High Energy Physics - Theory

Journal Article

The Journal of Physical Chemistry B, ISSN 1520-6106, 06/2012, Volume 116, Issue 23, pp. 6781 - 6788

.... The present study extends the original X-Pol method, where all fragments are treated using the same electronic structure theory, to multilevel representations, called multilevel X-Pol...

ENERGY DECOMPOSITION ANALYSIS | BIOLOGICAL MACROMOLECULES | MOLECULAR-ORBITAL METHOD | ACCURATE CALCULATIONS | CHEMISTRY, PHYSICAL | FORCE-FIELD | GHO METHOD | ELECTROSTATIC POLARIZATION | LARGE SYSTEMS | DENSITY-FUNCTIONAL THEORY | CHARGE-TRANSFER | Amino Acids - chemistry | Quantum Theory | Acetic Acid - chemistry | Hydrogen Bonding | Water - chemistry | Usage | Analysis | Gaussian processes | Density functionals | Electron configuration | Electron-electron interactions | Hydrogen bonding | Quantum theory | Enzymes | Electronic structure | Quantum mechanics | Multilevel | Fragments | Representations | Density | Fragmentation | explicit polarization theory | fragment-based molecular orbital | block-localized density functional theory | Mixed fragment method

ENERGY DECOMPOSITION ANALYSIS | BIOLOGICAL MACROMOLECULES | MOLECULAR-ORBITAL METHOD | ACCURATE CALCULATIONS | CHEMISTRY, PHYSICAL | FORCE-FIELD | GHO METHOD | ELECTROSTATIC POLARIZATION | LARGE SYSTEMS | DENSITY-FUNCTIONAL THEORY | CHARGE-TRANSFER | Amino Acids - chemistry | Quantum Theory | Acetic Acid - chemistry | Hydrogen Bonding | Water - chemistry | Usage | Analysis | Gaussian processes | Density functionals | Electron configuration | Electron-electron interactions | Hydrogen bonding | Quantum theory | Enzymes | Electronic structure | Quantum mechanics | Multilevel | Fragments | Representations | Density | Fragmentation | explicit polarization theory | fragment-based molecular orbital | block-localized density functional theory | Mixed fragment method

Journal Article

2009, Cambridge molecular science, ISBN 9780521818322, Volume 9780521818322, xiii, 532

.... With a tight focus on the highly popular Many-Body Perturbation Theory (MBPT) and Coupled-Cluster theories (CC...

Many-body problem | Quantum chemistry | Cluster theory (Nuclear physics) | Perturbation (Quantum dynamics)

Many-body problem | Quantum chemistry | Cluster theory (Nuclear physics) | Perturbation (Quantum dynamics)

Book

Journal of Chemical Physics, ISSN 0021-9606, 11/2008, Volume 129, Issue 20, pp. 205103 - 205103-14

... mechanical method combined with the theory of energy representation (QM/MM-ER method) recently developed. As a novel treatment in implementing the QM/MM-ER method...

Protons | Gases - chemistry | Thermodynamics | Quantum Theory | Oxidation-Reduction | Peptides - chemistry | Solvents - chemistry | Water - chemistry | Amino Acids - chemistry | Flavins - chemistry | Coenzymes - chemistry | Electrons | FLUIDS | solvation | HYDROGEN-BOND | SUPERCRITICAL WATER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | oxidation | DIFFERENCE-PSEUDOPOTENTIAL METHOD | enzymes | REAL-SPACE GRIDS | QM/MM | water | AQUEOUS-SOLUTION | DENSITY | free energy | molecular biophysics | MOLECULAR-DYNAMICS SIMULATIONS | LIQUIDS

Protons | Gases - chemistry | Thermodynamics | Quantum Theory | Oxidation-Reduction | Peptides - chemistry | Solvents - chemistry | Water - chemistry | Amino Acids - chemistry | Flavins - chemistry | Coenzymes - chemistry | Electrons | FLUIDS | solvation | HYDROGEN-BOND | SUPERCRITICAL WATER | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | oxidation | DIFFERENCE-PSEUDOPOTENTIAL METHOD | enzymes | REAL-SPACE GRIDS | QM/MM | water | AQUEOUS-SOLUTION | DENSITY | free energy | molecular biophysics | MOLECULAR-DYNAMICS SIMULATIONS | LIQUIDS

Journal Article

The Journal of Chemical Physics, ISSN 0021-9606, 10/2018, Volume 149, Issue 16, p. 164113

.... We present vibrational power spectra and frequency estimates for the title pre-reaction complex calculated at the level of classical, semiclassical, and second-order vibrational perturbation theory...

Potential energy | Pictures | Perturbation theory | Spectroscopy | Power spectra | Projectiles | Computer simulation | Molecular dynamics | Coupling (molecular) | Couplings | Perturbation methods | Mathematical analysis | Spectrum analysis | Quantum mechanics | Anharmonicity | Software | Kinetic energy | Energy transfer

Potential energy | Pictures | Perturbation theory | Spectroscopy | Power spectra | Projectiles | Computer simulation | Molecular dynamics | Coupling (molecular) | Couplings | Perturbation methods | Mathematical analysis | Spectrum analysis | Quantum mechanics | Anharmonicity | Software | Kinetic energy | Energy transfer

Journal Article

Journal of Optics (United Kingdom), ISSN 2040-8978, 07/2013, Volume 15, Issue 7, pp. 75715 - 1-4

.... As a by-product of this study, a one-to-one correspondence between the extended ABCD matrix formalism presented here and the quantum mechanical translation operator...

matrix theory | geometrical optics | OPTICS | Linear systems | Operators | Beams (radiation) | Quantum mechanics | Byproducts | Representations | Translations | Formalism | Physics - Optics

matrix theory | geometrical optics | OPTICS | Linear systems | Operators | Beams (radiation) | Quantum mechanics | Byproducts | Representations | Translations | Formalism | Physics - Optics

Journal Article

Journal of Mathematical Physics, ISSN 0022-2488, 02/2014, Volume 55, Issue 2, p. 22105

A symmetry in quantum mechanics is described by the projective representations of a Lie symmetry group that transforms between physical quantum states such that the square of the modulus of the states is invariant...

NONINERTIAL FRAMES | UNITARY REPRESENTATIONS | RECIPROCAL RELATIVITY | PHYSICS, MATHEMATICAL | Representations | Commutation | Quantum physics | Quantum mechanics | Quantum theory | Symmetry | SP GROUPS | COMMUTATION RELATIONS | QUANTUM STATES | QUANTUM MECHANICS | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS | IRREDUCIBLE REPRESENTATIONS

NONINERTIAL FRAMES | UNITARY REPRESENTATIONS | RECIPROCAL RELATIVITY | PHYSICS, MATHEMATICAL | Representations | Commutation | Quantum physics | Quantum mechanics | Quantum theory | Symmetry | SP GROUPS | COMMUTATION RELATIONS | QUANTUM STATES | QUANTUM MECHANICS | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS | IRREDUCIBLE REPRESENTATIONS

Journal Article

International Journal of Theoretical Physics, ISSN 0020-7748, 2/2014, Volume 53, Issue 2, pp. 662 - 674

We study Hankel transformation of the induced entangled state representation by quantum mechanical operator algebraic method, the derivatives of functions and their ascending and lowering operators...

Theoretical, Mathematical and Computational Physics | Quantum Physics | Induced entangled state representation | Physics, general | Hankel transformation | Physics | Elementary Particles, Quantum Field Theory | Ascending-lowering operators | PHYSICS, MULTIDISCIPLINARY

Theoretical, Mathematical and Computational Physics | Quantum Physics | Induced entangled state representation | Physics, general | Hankel transformation | Physics | Elementary Particles, Quantum Field Theory | Ascending-lowering operators | PHYSICS, MULTIDISCIPLINARY

Journal Article

International Journal of Theoretical Physics, ISSN 0020-7748, 6/2012, Volume 51, Issue 6, pp. 1753 - 1761

Dirac is the founder of quantum mechanical representation theory. By virtue of the technique of integration within an ordered product (IWOP...

Wigner operator | Theoretical, Mathematical and Computational Physics | Quantum mechanical representation theory | Quantum Physics | s -parameterized quantization scheme | Physics, general | Physics | Elementary Particles, Quantum Field Theory | s-parameterized quantization scheme | INTEGRATION | PHYSICS, MULTIDISCIPLINARY | QUANTUM | OPERATORS | Teachers

Wigner operator | Theoretical, Mathematical and Computational Physics | Quantum mechanical representation theory | Quantum Physics | s -parameterized quantization scheme | Physics, general | Physics | Elementary Particles, Quantum Field Theory | s-parameterized quantization scheme | INTEGRATION | PHYSICS, MULTIDISCIPLINARY | QUANTUM | OPERATORS | Teachers

Journal Article

Annals of Physics, ISSN 0003-4916, 09/2012, Volume 327, Issue 9, pp. 2310 - 2331

.... We construct a certain class of unitary representations of the Galilean line group and show that these representations determine the structure of quantum mechanics in non-inertial reference frames...

Galilean relativity | Infinite dimensional Lie groups | Equivalence principle | 3-COCYCLE | ATOMS | PHYSICS, MULTIDISCIPLINARY | Quantum theory | Quantum physics | Gravity | Potential energy | Quantum mechanics | Transformations | Inertial | Representations | Formalism | Three dimensional | PHYSICS OF ELEMENTARY PARTICLES AND FIELDS | ANALYTIC FUNCTIONS | POTENTIAL ENERGY | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS | LIE GROUPS | MASS | GRAVITATION | EQUIVALENCE PRINCIPLE | EUCLIDEAN SPACE | HAMILTONIANS | QUANTUM MECHANICS | TRANSFORMATIONS

Galilean relativity | Infinite dimensional Lie groups | Equivalence principle | 3-COCYCLE | ATOMS | PHYSICS, MULTIDISCIPLINARY | Quantum theory | Quantum physics | Gravity | Potential energy | Quantum mechanics | Transformations | Inertial | Representations | Formalism | Three dimensional | PHYSICS OF ELEMENTARY PARTICLES AND FIELDS | ANALYTIC FUNCTIONS | POTENTIAL ENERGY | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS | LIE GROUPS | MASS | GRAVITATION | EQUIVALENCE PRINCIPLE | EUCLIDEAN SPACE | HAMILTONIANS | QUANTUM MECHANICS | TRANSFORMATIONS

Journal Article

The Journal of Physical Chemistry B, ISSN 1520-6106, 01/2007, Volume 111, Issue 3, pp. 581 - 588

We have applied the quantum mechanical/molecular mechanical (QM/MM) method combined with the theory of energy representation (ER...

MECHANICAL/MOLECULAR MECHANICAL APPROACH | SOLVATION FREE-ENERGIES | HARTREE-FOCK EQUATIONS | RISM-SCF | SUPERCRITICAL WATER | DIFFERENCE-PSEUDOPOTENTIAL METHOD | CHEMISTRY, PHYSICAL | AB-INITIO QM/MM | MOLECULAR-DYNAMICS SIMULATIONS | OVOMUCOID 3RD DOMAIN | AQUEOUS-SOLUTION | Protons | Thermodynamics | Algorithms | Solutions | Computer Simulation | Water - chemistry | Models, Molecular | Acetic Acid - chemistry | Energy Transfer | Kinetics | Hydrogen-Ion Concentration | Analysis | Mechanical properties | Chemical properties | Research | Computational physics | Acetic acid | Quantum theory

MECHANICAL/MOLECULAR MECHANICAL APPROACH | SOLVATION FREE-ENERGIES | HARTREE-FOCK EQUATIONS | RISM-SCF | SUPERCRITICAL WATER | DIFFERENCE-PSEUDOPOTENTIAL METHOD | CHEMISTRY, PHYSICAL | AB-INITIO QM/MM | MOLECULAR-DYNAMICS SIMULATIONS | OVOMUCOID 3RD DOMAIN | AQUEOUS-SOLUTION | Protons | Thermodynamics | Algorithms | Solutions | Computer Simulation | Water - chemistry | Models, Molecular | Acetic Acid - chemistry | Energy Transfer | Kinetics | Hydrogen-Ion Concentration | Analysis | Mechanical properties | Chemical properties | Research | Computational physics | Acetic acid | Quantum theory

Journal Article

2011, Cambridge molecular science, ISBN 9780521769952, Volume 9780521769952, xii, 318

.... This book is designed to unravel the mysteries of molecular Rydberg states that lie beyond the scope of accepted spectroscopic theories...

Ionization | Energy levels (Quantum mechanics) | Rydberg states | Mechanical engineering & materials

Ionization | Energy levels (Quantum mechanics) | Rydberg states | Mechanical engineering & materials

Book

Computer Physics Communications, ISSN 0010-4655, 03/2016, Volume 200, pp. 87 - 95

Orbital-free density functional theory (OF-DFT) is a promising method for large-scale quantum mechanics simulation as it provides a good balance of accuracy and computational cost...

Local pseudopotentials | Real-space representations | Quantum mechanical | Orbital-free density functional theory | ELECTRON-GAS | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | METALS | ATOMS | KINETIC-ENERGY FUNCTIONALS | PHYSICS, MATHEMATICAL | CHALLENGES | INITIO MOLECULAR-DYNAMICS | Density functionals | Accuracy | Software packages | Computer simulation | Mathematical analysis | Density functional theory | Mathematical models | Computational efficiency | Finite difference method

Local pseudopotentials | Real-space representations | Quantum mechanical | Orbital-free density functional theory | ELECTRON-GAS | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | METALS | ATOMS | KINETIC-ENERGY FUNCTIONALS | PHYSICS, MATHEMATICAL | CHALLENGES | INITIO MOLECULAR-DYNAMICS | Density functionals | Accuracy | Software packages | Computer simulation | Mathematical analysis | Density functional theory | Mathematical models | Computational efficiency | Finite difference method

Journal Article

Journal of physics. Condensed matter, ISSN 1361-648X, 2017, Volume 29, Issue 25, p. 253001

... solid state physics model Hamiltonians. The present article presents an overview of the different areas of application and provides a comprehensive review of the underlying theory...

indistinguishable particles | statistical sampling | multi-layer wavefunction representations | quantum dynamics | thermal ensembles | WAVE-PACKET | QUANTUM-MECHANICAL CALCULATION | PHYSICS, CONDENSED MATTER | DISCRETE VARIABLE REPRESENTATIONS | MOLECULAR-DYNAMICS | INFRARED-SPECTROSCOPY | PRODUCT REPRESENTATION | TRANSITION-STATE THEORY | THERMAL RATE-CONSTANT | POTENTIAL-ENERGY SURFACES | ELECTRON-TRANSFER PROCESSES | Chemical Sciences | Physics

indistinguishable particles | statistical sampling | multi-layer wavefunction representations | quantum dynamics | thermal ensembles | WAVE-PACKET | QUANTUM-MECHANICAL CALCULATION | PHYSICS, CONDENSED MATTER | DISCRETE VARIABLE REPRESENTATIONS | MOLECULAR-DYNAMICS | INFRARED-SPECTROSCOPY | PRODUCT REPRESENTATION | TRANSITION-STATE THEORY | THERMAL RATE-CONSTANT | POTENTIAL-ENERGY SURFACES | ELECTRON-TRANSFER PROCESSES | Chemical Sciences | Physics

Journal Article

International Journal of Theoretical Physics, ISSN 0020-7748, 10/2016, Volume 55, Issue 10, pp. 4453 - 4461

...Int J Theor Phys (2016) 55:4453–4461 DOI 10.1007/s10773-016-3068-x On Bounded Posets Arising from Quantum Mechanical Measurements Dietmar Dorninger 1 · Helmut...

Commutativity | Multidimensional probability | Theoretical, Mathematical and Computational Physics | Poset with an antitone involution | Orthomodularity | Quantum Physics | Physics, general | Boolean orthoposet | Quantum measurement | Physics | Elementary Particles, Quantum Field Theory | PHYSICS, MULTIDISCIPLINARY | CLASSICALITY | PHYSICAL SYSTEM | PROBABILITIES

Commutativity | Multidimensional probability | Theoretical, Mathematical and Computational Physics | Poset with an antitone involution | Orthomodularity | Quantum Physics | Physics, general | Boolean orthoposet | Quantum measurement | Physics | Elementary Particles, Quantum Field Theory | PHYSICS, MULTIDISCIPLINARY | CLASSICALITY | PHYSICAL SYSTEM | PROBABILITIES

Journal Article

Journal of Mathematical Chemistry, ISSN 0259-9791, 8/2018, Volume 56, Issue 7, pp. 2001 - 2023

This paper takes a CMMSE 2107 proceedings paper about “Highest Monomiality Based Probabilistic Evolution Theory (PREVTH)” as starting point...

PREVTH | Theoretical and Computational Chemistry | Chemistry | Kronecker power series | PREVTH recursions | Physical Chemistry | Probabilistic evolution theory | Kronecker product | Space extension | Telescope matrices | Math. Applications in Chemistry | MULTIWAY ARRAYS | SERIES | MULTIVARIANCE PRODUCT REPRESENTATION | LIE ALGEBRAIC FACTORIZATION | APPROACH TRILOGY | FORMULATION | CHEMISTRY, MULTIDISCIPLINARY | EXPECTATION VALUE DYNAMICS | FOUNDATION | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | CONVERGENCE THEOREMS | QUANTUM-MECHANICAL OPERATORS | Series | Quantum computing | Research | Vector spaces | Mathematical research

PREVTH | Theoretical and Computational Chemistry | Chemistry | Kronecker power series | PREVTH recursions | Physical Chemistry | Probabilistic evolution theory | Kronecker product | Space extension | Telescope matrices | Math. Applications in Chemistry | MULTIWAY ARRAYS | SERIES | MULTIVARIANCE PRODUCT REPRESENTATION | LIE ALGEBRAIC FACTORIZATION | APPROACH TRILOGY | FORMULATION | CHEMISTRY, MULTIDISCIPLINARY | EXPECTATION VALUE DYNAMICS | FOUNDATION | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | CONVERGENCE THEOREMS | QUANTUM-MECHANICAL OPERATORS | Series | Quantum computing | Research | Vector spaces | Mathematical research

Journal Article