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1 The Mathematics of Quantum Mechanics 2. Unitary and Hermitian Operators
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2 Measurement in Quantum Mechanics Measuring is equivalent to decomposing down the system state to its basis states. What are the basis states for a specific measurement? What values are obtained in the measurement?
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3 Rotation Operator The Rotation Group The mathematical generator of the group Group Properties If the change in the function is known as a result of an infinitesimal rotation, the integrated result of applying any rotation operator can be calculated by this infinitesmal change
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4 The generator of the rotation group is used to construct a physically meaningful operator The Angular Momentum Operator The result of operating an angular momentum operator on a function is equivalent to a derivation by The result of operating an angular momentum operator on a function is equivalent to a derivation by
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5 The Eigenfunctions and Eigenvalues The eigenvalue equation The eigenfunctions and eigenvalues are obtained as a result of solving the differential equation The eigenfunctions of the angular momentum operator are the basis states of the measuring of the angular momentum The eigenvalues of the angular momentum operator are the results obtained by measurement
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6 The Link Between the Group Operators and Generator Operators 1.The eigenfunctions are identical 2.The link between the eigenvalues The rotation operator represents a geometrical action that preserves the normalization, and therefore (Unitary Operator) The rotation operator represents a geometrical action that preserves the normalization, and therefore 1 = | | 2 (Unitary Operator) The angular momentum operator represents a measurable physical quantity, and therefore all the eigenvalues are real (Hermitian Operator)
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7 The propagation in Time The second postulate of a free particle The second postulate of a two-dimensional rigid rotor Which operator generates the change in time? The Schrödinger equation describes how the system state changes in time:
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8 The Evolution Group The Schrödinger time-dependent equation: The Group properties The Group Generator: The Evolution Operator
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9 The Hamiltonian - the Energy Operator 1.The dispersion ratio in the second postulate determines the eigenvalue of the evolution operator: The generator of the evolution operator represents the measurement of energy ! 2.An evolution eigenfunction is also a Hamiltonian eigenfunction (and vice versa). Also, the stationary Shrödinger equation should be fulfilled (according to the link between the group operators and the generator):
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10 An Example: a Free Particle on a Ring Inserting the appropriate Hamiltonian: Equation of the eigenvalue: Eigenfunctions: Eigenvalues: From classic mechanics From classic mechanics E=L z 2 /2I But also: Obviously is fulfilled
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11 1.Finding the basis state - the eigenfunction with the lowest eigenvalue is the most energetically stable state of a chemical system The Significance of the Hamiltonian in Chemistry 2.Sperctroscopy - measuring of energy states. The basis states of the measurment are the eigenfunctions of the Hamiltonian, and the measured values are the appropriate eigenvalues. 3.Dynamical calculations - the eigenfunctions of the Hamiltonian are also eigenfunctions of the evolution operator
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