Results 241 to 250 of about 356,233 (291)

Higher Structure of Chiral Symmetry. [PDF]

Commun Math Phys
Copetti C, Del Zotto M, Ohmori K, Wang Y.   +3 more
europepmc   +1 more source

Beyond real: alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers. [PDF]

Chem Sci
Tkachenko NV, Ren H, Billings WM, Tomann R, Whaley KB, Head-Gordon M.   +5 more
europepmc   +1 more source

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Symmetry operation measures

Journal of Computational Chemistry, 2007
AbstractWe introduce a new mathematical tool for quantifying the symmetry contents of molecular structures: the Symmetry Operation Measures. In this approach, we measure the minimal distance between a given structure and the structure which is obtained after applying a selected symmetry operation on it.
Mark Pinsky 0002, David Casanova, Pere Alemany, Santiago Alvarez, David Avnir, Chaim Dryzun, Ziv Kizner, Alexander Sterkin   +7 more
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Position Operators as ``Internal'' Symmetries

Journal of Mathematical Physics, 1972
Space-time variables are generated as representation labels of an underlying group, the group itself being combined with the Poincaré group in a manner reminiscent of the way in which internal symmetries are combined with the Poincaré group. After representations of the group are found, a transform is introduced which allows one to pass from spinor to ...
Warren, Russell E., Klink, William H.
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Symmetries and Symmetry Operations: A First Overview

1995
In this chapter, we cover the fundamentals and theoretical approaches which we will need for — among other things — determining the wavefunctions and the energies of the π-electrons in benzene. A second example will be the ethene molecule.
Hermann Haken, Hans Christoph Wolf
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Symmetries and Symmetry Operations. A Systematic Approach

1995
This chapter provides a systematic approach to the application of group theory for the determination of molecular wavefunctions. We treat molecular point groups, the effect of symmetry operators on wavefunctions, and then the basic concepts of the theory of group representations. The method is demonstrated using the explicit example of the H2O molecule.
Hermann Haken, Hans Christoph Wolf
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Symmetry elements and symmetry operations

1991
The idea of ‘symmetry’ has been understood for a very long time, and the relationship of the symmetry of an object to its aesthetic appeal has been appreciated from the earliest ages. Our aim here is to make the idea of symmetry quantitative, so that we can use the symmetry properties of a molecule to simplify many of the problems concerning the ...
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Symmetries of Schrödinger Operator with Point Interactions

Letters in Mathematical Physics, 1998
The authors study the full four-parameter family of selfadjoint operators with point interactions and its behaviour under fundamental symmetry transformations. The paper starts with the discussion how the whole family of one-dimensional Schrödinger operators with point interactions can be described in terms of boundary conditions.
ALBEVERIO S, Dabrowski, Ludwik, KURASOV P.   +2 more
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Representations of symmetry operators

Il Nuovo Cimento, 1958
Explicit representations in terms of the field variables are given for the charge conjugation, space inversion, and time reversal operators, for the case of free fields. These expressions are generalized to the case of coupled fields.
Federbush, P. G., Grisaru, M. T.
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Symmetry Elements and Operations

Journal of Chemical Education, 1996
Symmetry Elements and Operations is a multimedia presentation that illustrates the basics of symmetry with three dimensional molecular models and simple text explanations. Three-dimensional graphics and animations are used to define and characterize the symmetry elements commonly encountered in chemical structures.
Albert W.M. Lee, C.L. Chan, K.M. Leung, W.J. Daniel   +3 more
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