Lecture

Hamiltonian Mechanics: Diatomic Molecules

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In course

CH-453: Molecular quantum dynamics

The course covers several exact, approximate, and numerical methods to solve the time-dependent molecular Schrödinger equation, and applications including calculations of molecular electronic spectra. More advanced topics include introduction to the semicl ...

Description

This lecture covers the application of Hamiltonian mechanics in polar coordinates, focusing on diatomic molecules after removing the center-of-mass motion. It discusses the Lagrange equations, conservation of energy, and the Hamiltonian for diatomic molecules. The instructor explains the concepts of canonical momentum, angular momentum, and the centrifugal force. The lecture also delves into the derivation of equations of motion from the principle of least action and the vibrational and rotational motion of molecules.

Instructor

Jiri Vanicek

Teaching & PhD PhD Students Liam Oliver Marsh, Yeha Lee, Davide Barbiero, Yannick Calvino Alonso, Manas Nagda Past EPFL PhD Students Cesare Mollica, Ray Marcel Marin Florez, Marius Wehrle, Aurélien Patoz, Konstantin Karandashev, Tomislav Begusic, Julien Roulet, Seonghoon Choi, Roya Moghaddasi Fereidani, Zhan Tong Zhang, Eriks Kletnieks, Alan Scheidegger, Fabian Kröninger Courses Mathematical methods in chemistry CH-250 This course consists of two parts. The first part covers basic concepts

Official source

Ontological neighbourhood

Physics

Mechanics: Classical mechanics

Related concepts (32)

Equations of motion

In physics, equations of motion are equations that describe the behavior of a physical system in terms of its motion as a function of time. More specifically, the equations of motion describe the behavior of a physical system as a set of mathematical functions in terms of dynamic variables. These variables are usually spatial coordinates and time, but may include momentum components. The most general choice are generalized coordinates which can be any convenient variables characteristic of the physical system.

Angular momentum

In physics, angular momentum (sometimes called moment of momentum or rotational momentum) is the rotational analog of linear momentum. It is an important physical quantity because it is a conserved quantity – the total angular momentum of a closed system remains constant. Angular momentum has both a direction and a magnitude, and both are conserved. Bicycles and motorcycles, flying discs, rifled bullets, and gyroscopes owe their useful properties to conservation of angular momentum.

Rotation

Rotation or rotational motion is the circular movement of an object around a central line, known as axis of rotation. A plane figure can rotate in either a clockwise or counterclockwise sense around a perpendicular axis intersecting anywhere inside or outside the figure at a center of rotation. A solid figure has an infinite number of possible axes and angles of rotation, including chaotic rotation (between arbitrary orientations), in contrast to rotation around a axis.

Centrifugal force

In Newtonian mechanics, the centrifugal force is an inertial force (also called a "fictitious" or "pseudo" force) that appears to act on all objects when viewed in a rotating frame of reference. It is directed away from an axis which is parallel to the axis of rotation and passing through the coordinate system's origin. If the axis of rotation passes through the coordinate system's origin, the centrifugal force is directed radially outwards from that axis.

Canonical coordinates

In mathematics and classical mechanics, canonical coordinates are sets of coordinates on phase space which can be used to describe a physical system at any given point in time. Canonical coordinates are used in the Hamiltonian formulation of classical mechanics. A closely related concept also appears in quantum mechanics; see the Stone–von Neumann theorem and canonical commutation relations for details.

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