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Quantum and Semiclassical Theories of Chemical Reaction Rates
... Considerable progress has been made in recent year^^'^ in learning how to alculate the CRP more directly than via Eq. (1-1), i.e., without having to solve explicitly for the S-matrix, yet still correctly, Le., without any inherent approximations. It is still necessary to determine the quantum dynami ...
... Considerable progress has been made in recent year^^'^ in learning how to alculate the CRP more directly than via Eq. (1-1), i.e., without having to solve explicitly for the S-matrix, yet still correctly, Le., without any inherent approximations. It is still necessary to determine the quantum dynami ...
Hagedorn: Molecular Propagation through Crossings and Avoided
... The time–dependent Born–Oppenheimer approximation describes the quantum mechanical motion of molecular systems. This approximation fails if a wavepacket propagates through an electron energy level crossing or “avoided crossing.” We discuss the various types of crossings and avoided crossings and des ...
... The time–dependent Born–Oppenheimer approximation describes the quantum mechanical motion of molecular systems. This approximation fails if a wavepacket propagates through an electron energy level crossing or “avoided crossing.” We discuss the various types of crossings and avoided crossings and des ...
Chapter 1. The Basics of Quantum Mechanics
... It turns out this Rydberg formula can also be applied to certain electronic states of molecules. In particular, for closed-shell cations such as NH4+, H3O+, protonated alcohols and protonated amines (even on side chains of amino acids), an electron can be attached into a so-called Rydberg orbital to ...
... It turns out this Rydberg formula can also be applied to certain electronic states of molecules. In particular, for closed-shell cations such as NH4+, H3O+, protonated alcohols and protonated amines (even on side chains of amino acids), an electron can be attached into a so-called Rydberg orbital to ...
M Theory Model of a Big Crunch/Big Bang Transition Abstract
... flat, parallel orbifold planes collide, precisely the situation envisaged in recently proposed cosmological models. Hence, the calculations we report are directly relevant to the ekpyrotic [6] and cyclic universe [7] scenarios, in which passage through a singularity of this type is taken to represen ...
... flat, parallel orbifold planes collide, precisely the situation envisaged in recently proposed cosmological models. Hence, the calculations we report are directly relevant to the ekpyrotic [6] and cyclic universe [7] scenarios, in which passage through a singularity of this type is taken to represen ...
Chapter 1
... For example, choosing δ equal to 0.41, 1.37, 2.23, 3.19, or 4.13 for Li, Na, K, Rb, and Cs, respectively, in this so-called Rydberg formula, one finds decent agreement between the n-dependence of the energy spacings of the singly excited valence states of these atoms. The fact that δ is larger for ...
... For example, choosing δ equal to 0.41, 1.37, 2.23, 3.19, or 4.13 for Li, Na, K, Rb, and Cs, respectively, in this so-called Rydberg formula, one finds decent agreement between the n-dependence of the energy spacings of the singly excited valence states of these atoms. The fact that δ is larger for ...
Quantum Mechanics: Postulates
... The weighting factor is the square of the expansion coefficient, b n for the n’th eigenfunction with eigenvalue a n . Thus, the expansion coefficients, bn represent the degree to which the full wavefunction possesses the character of the eigenfunction φ n . By anology to vector space, the coefficien ...
... The weighting factor is the square of the expansion coefficient, b n for the n’th eigenfunction with eigenvalue a n . Thus, the expansion coefficients, bn represent the degree to which the full wavefunction possesses the character of the eigenfunction φ n . By anology to vector space, the coefficien ...
Chapter 6 Groups and Representations in Quantum Mechanics
... to diagonalize a Hamiltonian. Examples where this arises is the lowering of the symmetry of a system by a perturbation, where the basis functions are the eigenfunctions of the original Hamiltonian, the bonding within molecules, where the basis functions are localized around the atomic sites within t ...
... to diagonalize a Hamiltonian. Examples where this arises is the lowering of the symmetry of a system by a perturbation, where the basis functions are the eigenfunctions of the original Hamiltonian, the bonding within molecules, where the basis functions are localized around the atomic sites within t ...
India - IAEA-NDS
... objects which are symmetric and, therefore, beautiful. Most of these symmetries are geometric in nature, and are related to the external appearance. However, we do come across many other types of symmetries in physics that are quite different from the purely geometric or, spatial symmetries. The the ...
... objects which are symmetric and, therefore, beautiful. Most of these symmetries are geometric in nature, and are related to the external appearance. However, we do come across many other types of symmetries in physics that are quite different from the purely geometric or, spatial symmetries. The the ...
Environment-Assisted Quantum Walks in Photosynthetic Energy
... can be described by the concept of directed quantum walks in Liouville space. Quantum walks in actual physical systems differ from idealized models of quantum walks in several significant ways. First, Hamiltonians of physical systems typically possess energy mismatches between sites that lead to And ...
... can be described by the concept of directed quantum walks in Liouville space. Quantum walks in actual physical systems differ from idealized models of quantum walks in several significant ways. First, Hamiltonians of physical systems typically possess energy mismatches between sites that lead to And ...
Quantum effects in energy and charge transfer in an
... commutators of basic operators taken at the same moment of time. We note that at the initial moment of time the operator, ρμν (0) ≡ |μν|, is represented by the above-mentioned zero matrix with a single unit at the μ-ν intersection. The matrix elements of the electron operators in Eqs. (9) and (13) ...
... commutators of basic operators taken at the same moment of time. We note that at the initial moment of time the operator, ρμν (0) ≡ |μν|, is represented by the above-mentioned zero matrix with a single unit at the μ-ν intersection. The matrix elements of the electron operators in Eqs. (9) and (13) ...
A Quantum Mechanical Supertask
... The differential form must be supplemented by a weak condition, such as the requirement that state vectors be normalizable at all times, 3 in order to recover the integral form and expel the pathologies. The indeterminism arising here is not the indeterminism of the quantum measurement process. In s ...
... The differential form must be supplemented by a weak condition, such as the requirement that state vectors be normalizable at all times, 3 in order to recover the integral form and expel the pathologies. The indeterminism arising here is not the indeterminism of the quantum measurement process. In s ...