Permutation-symmetric three- particle hyper-spherical harmonics I. Salom and V. Dmitrašinović.

Slides:



Advertisements
Similar presentations
7. Rotations in 3-D Space – The Group SO(3)
Advertisements

18_12afig_PChem.jpg Rotational Motion Center of Mass Translational Motion r1r1 r2r2 Motion of Two Bodies Each type of motion is best represented in its.
What is symmetry? Immunity (of aspects of a system) to a possible change.
Chapter 11 Angular Momentum.
6. One-Dimensional Continuous Groups 6.1 The Rotation Group SO(2) 6.2 The Generator of SO(2) 6.3 Irreducible Representations of SO(2) 6.4 Invariant Integration.
Computational Spectroscopy III. Spectroscopic Hamiltonians (e) Elementary operators for the harmonic oscillator (f) Elementary operators for the asymmetric.
P460 - angular momentum1 Orbital Angular Momentum In classical mechanics, conservation of angular momentum L is sometimes treated by an effective (repulsive)
3D Schrodinger Equation
P460 - angular momentum1 Orbital Angular Momentum In classical mechanics, conservation of angular momentum L is sometimes treated by an effective (repulsive)
Chapter 3 Determinants and Matrices
Mechanics of Rigid Bodies
Classical Model of Rigid Rotor
Orbital Angular Momentum
Ground State of the He Atom – 1s State First order perturbation theory Neglecting nuclear motion 1 - electron electron 2 r 1 - distance of 1 to nucleus.
Quantum mechanics review. Reading for week of 1/28-2/1 – Chapters 1, 2, and 3.1,3.2 Reading for week of 2/4-2/8 – Chapter 4.
XI. International Workshop
Lecture 17 Hydrogenic atom (c) So Hirata, Department of Chemistry, University of Illinois at Urbana-Champaign. This material has been developed and made.
States, operators and matrices Starting with the most basic form of the Schrödinger equation, and the wave function (  ): The state of a quantum mechanical.
Physics “Advanced Electronic Structure” Pseudopotentials Contents: 1. Plane Wave Representation 2. Solution for Weak Periodic Potential 3. Solution.
6. Second Quantization and Quantum Field Theory
The Hydrogen Atom Quantum Physics 2002 Recommended Reading: Harris Chapter 6, Sections 3,4 Spherical coordinate system The Coulomb Potential Angular Momentum.
Chapter 11 Angular Momentum. The Vector Product There are instances where the product of two vectors is another vector Earlier we saw where the product.
The Hydrogen Atom continued.. Quantum Physics 2002 Recommended Reading: Harris Chapter 6, Sections 3,4 Spherical coordinate system The Coulomb Potential.
P D S.E.1 3D Schrodinger Equation Simply substitute momentum operator do particle in box and H atom added dimensions give more quantum numbers. Can.
FermiGasy. W. Udo Schröder, 2005 Angular Momentum Coupling 2 Addition of Angular Momenta    
Predoc’ school, Les Houches,september 2004
Lecture 20 Spherical Harmonics – not examined
The Two-Body Problem. The two-body problem The two-body problem: two point objects in 3D interacting with each other (closed system) Interaction between.
FermiGasy. W. Udo Schröder, 2005 Angular Momentum Coupling 2 Addition of Angular Momenta    
17. Group Theory 1.Introduction to Group Theory 2.Representation of Groups 3.Symmetry & Physics 4.Discrete Groups 5.Direct Products 6.Symmetric Groups.
Physical Chemistry 2 nd Edition Thomas Engel, Philip Reid Chapter 18 A Quantum Mechanical Model for the Vibration and Rotation of Molecules.
Chapter 11 Angular Momentum. Angular momentum plays a key role in rotational dynamics. There is a principle of conservation of angular momentum.  In.
MS310 Quantum Physical Chemistry
MODELING MATTER AT NANOSCALES 6.The theory of molecular orbitals for the description of nanosystems (part II) The density matrix.
Quantum Two 1. 2 Angular Momentum and Rotations 3.
7. Angular Momentum The order in which you rotate things makes a difference,  1  2   2  1 We can use this to work out commutation relations for the.
Quantum Two 1. 2 Angular Momentum and Rotations 3.
Quantum Two 1. 2 Angular Momentum and Rotations 3.
Quantum New way of looking at our world. Classical vs Quantum Typically a student develops an intuition about how the world works using classical mechanics.
Mathematical Tools of Quantum Mechanics
Hamiltonian Mechanics (For Most Cases of Interest) We just saw that, for large classes of problems, the Lagrangian terms can be written (sum on i): L.
3.Spherical Tensors Spherical tensors : Objects that transform like 2 nd tensors under rotations.  {Y l m ; m =  l, …, l } is a (2l+1)-D basis for (irreducible)
Bethe-Salper equation and its applications Guo-Li Wang Department of Physics, Harbin Institute of Technology, China.
Chapter 9 Spin. Total angular momentum Let us recall key results for the total angular momentum 6.B.2 6.C.1.
Sect. 4.5: Cayley-Klein Parameters 3 independent quantities are needed to specify a rigid body orientation. Most often, we choose them to be the Euler.
4. General Properties of Irreducible Vectors and Operators 4.1 Irreducible Basis Vectors 4.2 The Reduction of Vectors — Projection Operators for Irreducible.
Quantum Two 1. 2 Angular Momentum and Rotations 3.
Schrodinger’s Equation for Three Dimensions
Ground State of the He Atom – 1s State
Quantum Two.
Chapter 6 Angular Momentum.
Chapter 3 Formalism.
3D Schrodinger Equation
5. Direct Products The basis  of a system may be the direct product of other basis { j } if The system consists of more than one particle. More than.
Last Time… 3-dimensional quantum states and wave functions
Quantum One.
Quantum Two.
Quantum Two.
Orbital Angular Momentum
Quantum Two.
Total Angular Momentum
Quantum Two Body Problem, Hydrogen Atom
Quantum Two.
Physical Chemistry Week 12
Quantum Two.
Angular Momentum Coupling
16. Angular Momentum Angular Momentum Operator
Representations and Algebra
Physics 319 Classical Mechanics
4. General Properties of Irreducible Vectors and Operators
Presentation transcript:

Permutation-symmetric three- particle hyper-spherical harmonics I. Salom and V. Dmitrašinović

Solving two particle problems Using center-of-mass reference system where a single 3-dim vector determines position Split wave function into radial and angular parts Using basis of spherical harmonics for the angular wave function (essential)!

Goal in 3-particle case Use c.m. system and split the problem into radial and angular parts Interaction is not radial-only, but in all realistic interaction potentials “radial” component is dominant – starting point for perturbation approach Solve angular part by decomposition to (hyper)spherical harmonics Account for some special dynamical symmetries (e.g. Y-string three-quark potential) Harmonics provide manifest permutation and rotation properties Applications: three quark systems, molecular physics, atomic physics (helium atom), positronium ion…

Jacobi coordinates: Non-relativistic energy – SO(6) invariant: Center-of-mass system In the case of different masses coordinates are more complicated

Hyper-spherical coordinates Triangle shape-space parameters: Plus angles that fix the position/orientation of the triangle plane (some Φ 1, Φ 2, Φ 3 ) Smith-Iwai Choice of angles

D-dim hyper-spherical harmonics Intuitively: natural basis for functions on D-dim sphere Functions on SO(D)/SO(D-1) – transform as traceless symmetric tensor representations (only a subset of all tensorial UIRs) UIR labeled by single integer K, highest weight (K, 0, 0,…) K boxes in a single row K(K+D-2) quadratic Casimir eigenvalue Homogenous harmonic polynomials (obeying Laplace eq. = traceless) of order K restricted to unit sphere Harmonics of order K are further labeled by appropriate quantum numbers, usually related to SO(D) subgroups

I - Case of planar motion 4 c.m. degrees of freedom - Jacobi coordinates: or spherically R, α, φ and Φ Hyper-angular momenta – so(4) algebra: conjugated to overall angular momentum

= G Decomposition: Y-string potential = the shortest sum of string lengths ← function of triangle area

Labeled by K, L and G: Functions coincide with SO(3) Wigner D- functions: Interactions preserve value of L (rotational invariance) and some even preserve G (area dependant like the Y-string three-quark potential) Hyper-spherical harmonics

Calculations now become much simpler… We decompose potential energy into hyper- spherical harmonics and split the problem into radial and angular parts:

II - Case of 3D motion 6 c.m. degrees of freedom - Jacobi coordinates: or spherically R, α, φ and some Φ 1, Φ 2, Φ 3 Hyper-angular momenta – so(6) algebra: Tricky!

Decomposition Complex Jacobi coord.: SO(3) rotations SO(6) U(3)

Quantum numbers Labels of SO(6) hyper-spherical harmonics SO(6) U(1) SO(3)  SO(2) SU(3) multiplicity

“Core polynomials” Building blocks – two SO(3) vectors and Start from polynomials sharp in Q: Define “core polynomials” sharp in J, m and Q: Core polynomial certainly contains component with but also lower K components

“Harmonizing” polynomials Let be shortened notation for all core polynomials with K values less than some given Harmonic polynomials are obtained as ortho- complement w.r.t. polynomials with lesser K, i.e.: where are deduced from requirement: Scalar product of core polynomials

Scalar product of polynomials on hyper-sphere Defined as it can be shown that: that for core polynomials eventually leads to a closed-form expression… Integral of any number of polynomials can be evaluated (e.g. matrix elements)

Multiplicity Exist nonorthogonal and Degenerated subspace: We remove multiplicity by using physically appropriate operator - obtain orthonormalized spherical harmonic polynomials as: where and U is a matrix such that: E.g. this can be or often used operator

Particle permutations Transformations are easily inferred since: …

Finally and most importantly… Explicitly calculate harmonics in Wolfram Mathematica… …

Thank you

Hyper-spherical coordinates Triangle shape-space parameters: Plus angles that fix the position/orientation of the triangle plane (some Φ 1, Φ 2, Φ 3 ) Smith-Iwai Choice of angles