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Related papers: Pre-Born-Oppenheimer Molecular Structure Theory

200 papers

A non-relativistic quantum mechanical theory is proposed that describes the universe as a continuum of worlds whose mutual interference gives rise to quantum phenomena. A logical framework is introduced to properly deal with propositions…

Quantum Physics · Physics 2015-08-18 Kim Joris Boström

Experiments have demonstrated that vibrational strong coupling between molecular vibrations and light modes can significantly change molecular properties, such as ground-state reactivity. Theoretical studies towards the origin of this…

Chemical Physics · Physics 2024-01-09 Marit R. Fiechter , Jeremy O. Richardson

In this paper, we extend the standard formalism of quantum mechanics to a quantum theory for a total system including one internal measuring apparatus. The internality of the measuring apparatus implies that different decomposition of a…

Quantum Physics · Physics 2012-05-17 Wen-ge Wang

A new formulation of quantum mechanics is proposed based on a new principle that can be considered a generalization of the Born rule. The principle is composed of a mathematical expression and an associated interpretation, and establishes a…

Quantum Physics · Physics 2008-10-31 Bruno Galvan

Bohmian mechanics is the most naively obvious embedding imaginable of Schr\"odinger's equation into a completely coherent physical theory. It describes a world in which particles move in a highly non-Newtonian sort of way, one which may at…

Quantum Physics · Physics 2008-11-26 K. Berndl , M. Daumer , D. Dürr , S. Goldstein , N. Zanghi

The quantum theory of atoms in molecules, QTAIM, is employed to identify AIM and quantify their interactions through the partitioning of molecule into atomic basins in the real space and it is confined only to the purely electronic systems…

Atomic and Molecular Clusters · Physics 2022-12-29 Shant Shahbazian

We review the de Broglie-Bohm quantum theory. It is an alternative description of quantum phenomena in accordance with all the quantum experiments already performed. Essentially, it is a dynamical theory about objectively real trajectories…

General Relativity and Quantum Cosmology · Physics 2021-11-05 Nelson Pinto-Neto

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…

Born's rule in its conventional textbook form applies to the small class of projective measurements only. It is well-known that a generalization of Born's rule to realistic experiments must be phrased in terms of positive operator valued…

Quantum Physics · Physics 2019-12-23 Arnold Neumaier

Bohmian mechanics is a theory that provides a consistent explanation of quantum phenomena in terms of point particles whose motion is guided by the wave function. In this theory, the state of a system of particles is defined by the actual…

Quantum Physics · Physics 2016-10-05 Albert Solé , Xavier Oriols , Damiano Marian , Nino Zanghì

The relation between the dynamical properties of a coupled quasiparticle-oscillator system in the mixed quantum-classical and fully quantized descriptions is investigated. The system is considered to serve as a model system for applying a…

chao-dyn · Physics 2009-10-28 Holger Schanz , Bernd Esser

Quantum complementarity is a fundamental feature of quantum systems and has captivated the physics research community for nearly a century, with significant advancements emerging in recent decades. This review traces the historical…

Quantum Physics · Physics 2026-05-27 Diego S. Starke , Jonas Maziero , Marcos L. W. Basso , Tabish Qureshi

An historical overview is given of the relevant steps that allowed the genesis of the quantum theory of the chemical bond, starting from the appearance of the new quantum mechanics and following later developments till approximately 1931.…

History and Philosophy of Physics · Physics 2013-09-19 S. Esposito , A. Naddeo

We perform an experimental test where we directly observe light-induced electron transitions with a macroscopic spatial discontinuity. The effect is related to the fundamental indivisibility of macroscopic orbit-like quantum states…

Quantum Physics · Physics 2018-06-27 Sergey A. Emelyanov

It is commonly believed that the most general type of a quantum-mechanical measurement is one described by a positive-operator valued measure (POVM). In the present paper, this statement is proven for any measurements on quantum systems…

Quantum Physics · Physics 2014-02-13 A. V. Nenashev

We show that the principles of a ''complete physical theory'' and the conclusions of the standard quantum mechanics do not irreconcilably contradict each other as is commonly believed. In the algebraic approach, we formulate axioms that…

Quantum Physics · Physics 2007-05-23 D. A. Slavnov

We present the quantum measurement problem as a serious physics problem. Serious because without a resolution, quantum theory is not complete, as it does not tell how one should - in principle - perform measurements. It is physical in the…

Quantum Physics · Physics 2018-07-23 Nicolas Gisin

Applications of quantum mechanics have led to many successful predictions and explanations of puzzling phenomena, and we now apply quantum mechanics to gain, process, and communicate information in novel ways. We can understand quantum…

Quantum Physics · Physics 2026-04-03 Richard Healey

The de Broglie-Bohm theory is a hidden variable interpretation of quantum mechanics which involves particles moving through space with definite trajectories. This theory singles out position as the primary ontological variable.…

The main motivation for this work is the exploration of rotational-vibrational states corresponding to electronic excitations in a pre-Born-Oppenheimer quantum theory of molecules. These states are often embedded in the continuum of the…

Chemical Physics · Physics 2018-10-15 Edit Mátyus
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