Exact classical quantum mechanical solution for atomic helium which predicts conjugate parameters from a unique solution for the first time

2008 ◽  
Vol 21 (2) ◽  
pp. 103-141 ◽  
Author(s):  
Randell L. Mills
Keyword(s):  
Unique Solution ◽  
Quantum Mechanical ◽  
Classical Quantum ◽  
Quantum Mechanical Solution ◽  
First Time ◽  
Atomic Helium

scholarly journals QUANTUMNESS OF CORRELATIONS AND ENTANGLEMENT

2011 ◽  
Vol 09 (07n08) ◽  
pp. 1757-1771 ◽  
Author(s):  
A. R. USHA DEVI ◽  
A. K. RAJAGOPAL ◽  
SUDHA
Keyword(s):  
Density Matrix ◽  
General Setting ◽  
Trace Class ◽  
Quantum Correlations ◽  
Completely Positive ◽  
Generalized Measurement ◽  
Linear Maps ◽  
Classical Quantum ◽  
First Time ◽  
General Perspective

Generalized measurement schemes on one part of bipartite states, which would leave the set of all separable states insensitive are explored here to understand quantumness of correlations in a more general perspective. This is done by employing linear maps associated with generalized projective measurements. A generalized measurement corresponds to a quantum operation mapping a density matrix to another density matrix, preserving its positivity, hermiticity, and trace class. The positive operator valued measure (POVM) — employed earlier in the literature to optimize the measures of classical/quantum correlations — correspond to completely positive (CP) maps. The other class, the not completely positive (NCP) maps, are investigated here, in the context of measurements, for the first time. It is shown that such NCP projective maps provide a new clue to the understanding of quantumness of correlations in a general setting. Especially, the separability–classicality dichotomy gets resolved only when both the classes of projective maps (CP and NCP) are incorporated as optimizing measurements. An explicit example of a separable state — exhibiting nonzero quantum discord, when possible optimizing measurements are restricted to POVMs — is reexamined with this extended scheme incorporating NCP projective maps to elucidate the power of this approach.

Specific quantum mechanical solution of difference equation of hyperbolic type

2014 ◽  
Vol 19 (5) ◽  
pp. 1313-1328 ◽  
Author(s):  
Jovan P. Šetrajčić ◽  
Stevo K. Jaćimovski ◽  
Vjekoslav D. Sajfert ◽  
Igor J. Šetrajčić
Keyword(s):  
Difference Equation ◽  
Hyperbolic Type ◽  
Quantum Mechanical ◽  
Quantum Mechanical Solution ◽  
Specific Quantum

On Quantum Capacity and its Bound

2003 ◽  
Vol 06 (02) ◽  
pp. 301-310 ◽  
Author(s):  
Masanori Ohya ◽  
Igor V. Volovich
Keyword(s):  
Quantum Channel ◽  
Quantum Mechanical ◽  
Quantum Capacity ◽  
Classical Quantum ◽  
Mutual Entropy

The quantum capacity of a pure quantum channel and that of classical-quantum-classical channel are discussed in detail based on the fully quantum mechanical mutual entropy. It is proved that the quantum capacity generalizes the so-called Holevo bound.

Tunneling and Percolation Behavior in Granular Metals

1990 ◽  
Vol 195 ◽  
Author(s):  
I. Balberg ◽  
N. Wagner ◽  
Y. Goldstein ◽  
S.Z. Weisz
Keyword(s):  
Computer Simulation ◽  
Critical Behavior ◽  
Quantum Mechanical ◽  
Electrical Noise ◽  
Quantum Mechanical Tunneling ◽  
Percolation Process ◽  
Percolation Behavior ◽  
Metallic Grains ◽  
First Time ◽  
Special Case

ABSTRACTThe nature of the percolation process in granular metals is examined for the first time by a computer simulation of a system of metallic grains embedded in an insulating matrix. Assuming that the intergrain conduction is due to quantum mechanical tunneling it is found that a percolation-like critical behavior of the conductivity is obtained, but that a percolation universal behavior will be found only in a very special case. In contrast, the behavior of the electrical noise does not deviate substantially from the universal one. Comparison of these results with recent experimental observations suggests that in the metallic range, both transport properties are controlled by the continuous metallic network rather than by intergrain tunnelin.. We propose that the metallic network resembles the previously studied system of ‘inverted random voids’.

scholarly journals Revealing the unknown aspects of initial steps of prenylated flavin mononucleotide biosynthesis – the role of Lys129 in PaUbiX

2021 ◽  
Author(s):  
Szymon Zaczek ◽  
Agnieszka Dybala-Defratyka
Keyword(s):  
Active Sites ◽  
Laboratory Experiments ◽  
Phosphate Group ◽  
Flavin Mononucleotide ◽  
Dipolar Cycloaddition ◽  
Quantum Mechanical ◽  
Constant Ph ◽  
First Time ◽  
Simulation Time

Background Prenylated flavin mononucleotide (prFMN) is a recently discovered, heavily modified flavin compound. It is the only known cofactor that enables enzymatic 1,3-dipolar cycloaddition reactions. It is produced by enzymes from UbiX family, from flavin mononucleotide and either dimethylallyl mono- or diphosphate. prFMN biosynthesis is currently reported to be initiated by a protonation of the substrate by Glu140. Methods Computational chemistry methods are applied herein - mostly different flavors of molecular dynamics MD, such as Constant pH MD, hybrid Quantum-Mechanical / Molecular Mechanical MD, and classical MD. Results Glu140 competes for a single proton with Lys129 but it is the latter that adopted a protonated state throughout most of the simulation time. Lys129 plays a key role in the positioning of the DMAP’s phosphate group within the PaUbiX active site. DMAP’s breakdown into a phosphate and a prenyl group can be decoupled from the protona-tion of the DMAP’s phosphate group. Conclusions The role of Lys129 in functioning of PaUbiX is reported for the first time. The severity of interactions between Glu140, Lys129, and DMAP’s phosphate group enables an unusual decoupling of phosphate’s protonation from DMAP’s breakdown. Those findings are most likely conserved throughout the UbiX family to the structural re-semblence of active sites of those proteins. Significance Mechanistic insights into a crucial biochemical process, biosynthesis of prFMN, are provided. This study, alt-hough purely computational, extends and perfectly complements the knowledge obtained in classical laboratory experiments.

scholarly journals Introduction to “Quantum Light Theory” (QLT)

2021 ◽  
Author(s):  
Wim Vegt
Keyword(s):  
Field Theory ◽  
Quantum Field Theory ◽  
Electromagnetic Field ◽  
Fundamental Question ◽  
Quantum Mechanical ◽  
Quantum Field ◽  
Fundamental Interaction ◽  
Electromagnetic Equation ◽  
Classical Quantum ◽  
Light Theory

Quantum Light Theory (QLT) is the development in Quantum Field Theory (QFT). In Quantum Field Theory, the fundamental interaction fields are replacing the concept of elementary particles in Classical Quantum Mechanics. In Quantum Light Theory the fundamental interaction fields are being replaced by One Single Field. The Electromagnetic Field, generally well known as Light. To realize this theoretical concept, the fundamental theory has to go back in time 300 years, the time of Isaac Newton to follow a different path in development. Nowadays experiments question more and more the fundamental concepts in Quantum Field Theory and Classical Quantum Mechanics. The publication “Operational Resource Theory of Imaginarity“ in “Physical Review Letters” in 2021 (Ref. [2]) presenting the first experimental evidence for the measurability of “Quantum Mechanical Imaginarity” directly leads to the fundamental question in this experiment: How is it possible to measure the imaginary part of “Quantum Physical Probability Waves”? This publication provides an unambiguously answer to this fundamental question in Physics, based on the fundamental “Gravitational Electromagnetic Interaction” force densities. The “Quantum Light Theory” presents a new “Gravitational-Electromagnetic Equation” describing Electromagnetic Field Configurations which are simultaneously the Mathematical Solutions for the Quantum Mechanical “Schrodinger Wave Equation” and more exactly the Mathematical Solutions for the “Relativistic Quantum Mechanical Dirac Equation”. The Mathematical Solutions for the “Gravitational-Electromagnetic Equation” carry Mass, Electric Charge and Magnetic Spin at discrete values.

Frequencies and Normal Modes of Benz(a)anthracene. A MINDO/3-FORCES Treatment

2001 ◽  
Vol 56 (6-7) ◽  
pp. 493-498
Author(s):  
Rehab M. Kubba ◽  
Muthana Shanshal
Keyword(s):  
Normal Modes ◽  
Normal Coordinate Analysis ◽  
Quantum Mechanical ◽  
Ir Absorption ◽  
Quantum Mechanical Calculations ◽  
Vibration Frequencies ◽  
Normal Coordinate ◽  
First Time

Abstract Quantum mechanical calculations, based on the MINDO/3-FORCES method, of the vibration fre­quencies and IR absorption intensities of benz(a)anthracene are reported and compared with calculated vibration frequencies of that molecule. For the first time a complete normal coordinate analysis for the molecule is reported. Interesting correlations between vibration motions of the same type but different symmetries are reported.

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