About: Molecular Hamiltonian

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In atomic, molecular, and optical physics and quantum chemistry, the molecular Hamiltonian is the Hamiltonian operator representing the energy of the electrons and nuclei in a molecule. This operator and the associated Schrödinger equation play a central role in computational chemistry and physics for computing properties of molecules and aggregates of molecules, such as thermal conductivity, specific heat, electrical conductivity, optical, and magnetic properties, and reactivity.

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rdf:type	Thing company
rdfs:label	Hamiltoniano molecular (es) Hamiltonien moléculaire (fr) Molecular Hamiltonian (en) Hamiltoniano molecular (pt)
rdfs:comment	En física atómica, molecular y óptica, así como en química cuántica, hamiltoniano molecular es el nombre dado al operador hamiltoniano que representa la energía del sistema constituido por los electrones y el conjunto de núcleos de una molécula. Este es una operador autoadjunto, es decir hermítico, cuya ecuación de Schrödinger asociada juega un papel central en la química computacional y en la física computacional para calcular propiedades de moléculas y agregados de las mismas, tales como conductividad térmica, calor específico, conductividad eléctrica, propiedades ópticas y magnéticas, y reactividad. (es) En optique et en chimie quantique, « l'hamiltonien moléculaire » est l'opérateur hamiltonien de l'énergie des électrons et des noyaux d'une molécule. Cet opérateur hermitien et l'équation de Schrödinger associée sont à la base du calcul des propriétés des molécules et des agrégats de molécules, comme la conductivité, les propriétés optiques et magnétique, ou encore la réactivité. (fr) In atomic, molecular, and optical physics and quantum chemistry, the molecular Hamiltonian is the Hamiltonian operator representing the energy of the electrons and nuclei in a molecule. This operator and the associated Schrödinger equation play a central role in computational chemistry and physics for computing properties of molecules and aggregates of molecules, such as thermal conductivity, specific heat, electrical conductivity, optical, and magnetic properties, and reactivity. (en) Na física atômica, molecular e óptica e na química quântica, o hamiltoniano molecular é o operador hamiltoniano que representa a energia dos elétrons e núcleos de uma molécula. Esse operador e a equação de Schrödinger associada desempenham um papel central na química e na física computacional para calcular propriedades de moléculas e agregados de moléculas, como condutividade térmica, calor específico, condutividade elétrica, propriedades ópticas e magnéticas e reatividade. (pt)
dcterms:subject	Molecular physics Quantum chemistry Spectroscopy
Wikipage page ID	7148738 (xsd:integer)
Wikipage revision ID	1089106685 (xsd:integer)
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sameAs	Molecular Hamiltonian Molecular Hamiltonian Molecular Hamiltonian Molecular Hamiltonian Molecular Hamiltonian

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