PhyslibAlpha.CondensedMatter.TightBindingChain.Cube
The open tight binding cube
i. Overview
Three open tight binding chains `Tx`, `Ty`, `Tz` along the axes of a cube give the sites `(nx, ny, nz)` and the Hilbert space `𝓗[Fin Nx × Fin Ny × Fin Nz]`. Each observable of a chain acts on its own axis and leaves the other two in place. Observables of different axes commute: only the Hamiltonian and the position of the same axis fail to commute.
In the maximal current state of the cube, the product of the maximal current states of the three chains, each axis carries the constant `C_Nava` of its own chain. The energy–position uncertainty relation of an axis is an equality exactly when that axis has `2` or `3` sites, and it is strict from `4` sites on, on the three axes at once.
ii. Key results
- `alongX`, `alongY`, `alongZ` : an observable of a chain acting on its axis of the cube. - `bracket_alongX_alongY`, `bracket_alongX_alongZ`, `bracket_alongY_alongZ` : different axes commute. - `maxCurrentCubeState` : the maximal current state of the cube. - `CNava_alongX`, `CNava_alongY`, `CNava_alongZ` : each axis carries its own `C_Nava`. - `centeredGramDefect_alongX_eq_zero_iff` (and `Y`, `Z`) : saturation on an axis iff it has `2` or `3` sites. - `nava_robertson_schrodinger_cube` : from `4 × 4 × 4` on, strict on the three axes.
iii. Table of contents
- A. Observables along the axes
- B. Different axes commute
- C. The maximal current state of the cube
- D. The uncertainty relation along each axis
iv. References
* https://www.damtp.cam.ac.uk/user/tong/aqm/aqmtwo.pdf. [ref: tong_statistical_physics]
A. Observables along the axes
B. Different axes commute
C. The maximal current state of the cube
D. The uncertainty relation along each axis
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Hilbert space of the tight binding cube
Given three open tight-binding chains , and with , and sites respectively, the Hilbert space of the cube is the finite-dimensional complex Hilbert space whose basis is indexed by the Cartesian product of the sites of each chain, denoted as . This space represents the quantum states of a system defined on the 3D grid of sites .
Linear operators on the Hilbert space of the tight-binding cube
Given three open tight-binding chains , , and , `CubeOperators` is the space of continuous linear operators acting on the Hilbert space of the cube . Mathematically, it is the space of linear maps from the Hilbert space to itself over the complex numbers , where is the finite-dimensional Hilbert space representing the 3D grid of sites.
Observable acting along the -axis of the cube
Given an observable (a self-adjoint operator) acting on the Hilbert space of a tight-binding chain , `alongX a` defines a corresponding observable on the Hilbert space of the cube . This observable acts as on the -axis and as the identity operator on the and axes, representing the tensor product operator .
Observable acting along the -axis
Given an observable (a self-adjoint linear operator) acting on the Hilbert space of a tight-binding chain , `alongY b` is the corresponding observable on the cube Hilbert space . It represents the operator , which acts as on the -axis and as the identity operator on the and axes.
Observable along the -axis of the cube
Given an observable acting on the Hilbert space of a tight-binding chain along the -axis, this definition constructs the corresponding observable on the 3D cube Hilbert space . Specifically, it represents the operator , where and are the identity operators on the and axes, respectively.
In a tight-binding cube formed by three chains , , and , let be an observable (a self-adjoint operator) acting on the Hilbert space of the -axis chain, and let be an observable acting on the Hilbert space of the -axis chain. Let and be the corresponding lifted observables acting on the cube's Hilbert space . Then the Lie bracket of these observables is zero: where the Lie bracket for self-adjoint operators is defined as .
Let and be open tight-binding chains with corresponding Hilbert spaces and . For any observable (self-adjoint operator) acting on and any observable acting on , their representations on the cube Hilbert space , denoted by and , commute such that their Lie bracket is zero: where the Lie bracket is defined as .
Observables along the and axes commute:
Let be three open tight-binding chains forming a 3D cube with the Hilbert space . For any observable acting on the Hilbert space and any observable acting on the Hilbert space , let and be the corresponding observables acting on the cube. Then their Lie bracket vanishes: where the bracket is defined as .
Maximal current state of the tight-binding cube
Given three open tight-binding chains , and with , and sites respectively, the maximal current state of the cube is the product vector of the 1D maximal current states of each individual chain. Specifically, , which resides in the cube Hilbert space .
The maximal current state of the cube is normalized
Given three open tight-binding chains , , and , the norm of the maximal current state of the cube is equal to 1, i.e., .
Maximal current vector state of the tight-binding cube
Given three open tight-binding chains , and , the maximal current vector state is the quantum state (unital positive linear map) on the algebra of cube operators defined by the normalized maximal current state vector . For any operator , the state maps to the expectation value .
Variance of an -axis Observable in the Cube equals the 1D Chain Variance
Consider three open tight-binding chains , , and . Let be the maximal current vector state of the 3D cube formed by these chains, and let be the maximal current vector state of the individual chain . For any observable acting on the Hilbert space of , let be the corresponding observable acting along the -axis of the cube (representing ). The variance of in the cube state is equal to the variance of in the chain state :
The centered Gram defect along the -axis of the cube equals the chain's centered Gram defect
For three open tight-binding chains , , and , let be the maximal current vector state on the Hilbert space of the cube , and let be the maximal current vector state on the Hilbert space of the chain . For any two observables acting on , let and be the corresponding observables acting along the -axis of the cube (defined by the operators and respectively). The centered Gram defect of and with respect to the state is equal to the centered Gram defect of and with respect to the state : where the centered Gram defect for a state and observables is defined as .
Let , and be three open tight-binding chains. Let be the maximal current state on the Hilbert space of the cube , and let be the maximal current state on the Hilbert space of the chain . For any observable acting on the chain , let denote the corresponding observable acting along the -axis of the cube (representing ). Then the variance of in the state is equal to the variance of in the state :
The Centered Gram Defect of -axis Observables in the Cube Equals the Defect in the Chain State
Consider three open tight-binding chains , and . Let be the maximal current vector state of the tight-binding cube, and let be the maximal current vector state of the -axis chain . For any two observables and (self-adjoint linear operators) acting on the Hilbert space of , let and be the corresponding lifted observables acting on the cube's Hilbert space. Then the centered Gram defect of and with respect to is equal to the centered Gram defect of and with respect to : where the centered Gram defect for a state and observables is defined as the remainder in the Robertson–Schrödinger uncertainty relation: .
The variance of a -axis observable in the cube's maximal current state equals its variance in the -chain's maximal current state.
For three open tight-binding chains , and , let be the maximal current vector state of the 3D cube and be the maximal current vector state of the -axis chain . For any observable acting on the Hilbert space of , let be the corresponding observable acting along the -axis of the cube (defined as ). Then the variance of in the state is equal to the variance of in the state :
Centered Gram Defect along the -axis of the Cube equals the Centered Gram Defect of the -Chain
Let , and be three open tight-binding chains. Let be the maximal current vector state of the tight-binding cube, and let be the maximal current vector state of the chain . For any two observables acting on the Hilbert space of the -axis chain, let and be the corresponding observables acting on the cube's Hilbert space along the -axis (representing and respectively). The centered Gram defect of and in the state is equal to the centered Gram defect of and in the state : where the centered Gram defect for two observables in a state is defined as .
The centered Gram defect along the -axis vanishes iff
Consider three open tight-binding chains and forming a cubic lattice. Let be the number of sites and be the hopping parameter for the chain along the -axis. Suppose and . Let be the maximal current vector state of the cube, and let and be the Hamiltonian and position observables acting along the -axis, respectively. The centered Gram defect between and in state vanishes (meaning the Robertson–Schrödinger uncertainty relation becomes an equality) if and only if or .
Saturation of the -axis Uncertainty Relation iff or
Consider a tight-binding cube formed by three chains , and . Let be the number of sites and be the hopping parameter of the -axis chain . Let be the maximal current vector state of the cube. Let and be the open Hamiltonian and the position operator acting along the -axis of the cube, respectively. For and , the centered Gram defect of and with respect to the state is zero if and only if or :
Saturation of the Robertson–Schrödinger Uncertainty Relation along the -axis iff
Let , , and be three open tight-binding chains forming a 3D cube. Let be the number of sites and be the hopping parameter of the -axis chain. Suppose and . Let be the maximal current vector state of the cube, and let and be the open Hamiltonian and position observables acting along the -axis, respectively. Then, the centered Gram defect of and in the state is zero if and only if is 2 or 3: where and are the centered observables.
Conjugate pair of a tight-binding chain
For a tight-binding chain with associated Hilbert space , the **conjugate pair** is a function mapping the index set to the space of observables (self-adjoint operators) in . This pair consists of the open Hamiltonian and the position operator of the chain.
Conjugate pairs for the axes of the cube
This function maps a pair of indices to an observable (a self-adjoint operator) acting on the Hilbert space of the tight-binding cube . The index specifies the axis of the cube ( or ), and the index selects the corresponding member of the conjugate pair —the Hamiltonian and the position operator—of that axis. Each resulting observable acts on its specific axis while acting as the identity operator on the other two axes.
Expectation value for axis
Given a quantum state on the algebra of operators of a tight-binding cube (formed by three chains , and ) and an axis index , this definition calculates the expectation value of the Lie bracket of the Hamiltonian and position operator corresponding to the -th axis. The bracket is defined as , which ensures that the commutator of two self-adjoint operators results in another self-adjoint operator (an observable).
The -axis conjugate pairs of the cube are the lifted conjugate pairs of the -axis chain.
For three open tight-binding chains and forming a cube, and for each index representing either the Hamiltonian () or the position operator (), the -th member of the conjugate pair for the -axis of the cube is equal to the -th conjugate pair of the chain acting along the -axis of the cube. Mathematically, for : where the axis index denotes the -axis, and lifts an operator from the -chain's Hilbert space to the cube's Hilbert space by acting as the identity on the and axes.
The -axis conjugate pairs of the cube are the conjugate pairs acting along the -direction
For three open tight-binding chains , and , let be the -th observable in the conjugate pair (where denotes the Hamiltonian and denotes the position operator) for the -th axis of the cube. For , the -th conjugate operator associated with the -axis () is the -th conjugate operator of the chain acting along the -direction of the cube: where is the operator that acts as its argument on the -axis Hilbert space and as the identity on the and axes.
The -axis conjugate operators of the cube equal
For a tight-binding cube composed of three chains , and , let be the operator on the cube's Hilbert space corresponding to the -th conjugate variable (where is the Hamiltonian and is the position operator) along the -th axis (where denotes the -axis). For any , it holds that where is the -th conjugate operator of the individual chain , and is the operation that embeds an operator acting on the -axis Hilbert space into the full cube Hilbert space as the tensor product .
Observables on different axes of the cube commute
Let , and be three open tight-binding chains. Let and be indices in that specify an observable type (Hamiltonian or position ) and an axis of the cube (, or ). If and refer to different axes (i.e., ), then the Lie bracket of the corresponding observables on the cube's Hilbert space is zero: This implies that observables associated with different spatial axes commute.
The Bracket Matrix of Tight-Binding Cube Observables is Block Diagonal
For any quantum state on the operator algebra of a tight-binding cube (composed of three chains ), the bracket matrix of the conjugate pairs of observables for each axis is block diagonal. Specifically, the matrix consists of three antisymmetric blocks: where is the Lie bracket, and is the expectation value of the bracket of the Hamiltonian and position operator along axis .
Robertson's Determinant Inequality for the Tight-Binding Cube:
Consider a quantum system on a tight-binding cube formed by three chains , and . For any quantum state , let and be the Hamiltonian and position observables corresponding to the -th axis for . Let be the covariance matrix of these six observables in the state . Then the determinant of the covariance matrix is bounded below by the squared product of the expectation values of the brackets :
Consider three open tight-binding chains , and . Let be the maximal current vector state of the tight-binding cube, and let be the maximal current vector state of the chain . For any two observables and acting on the Hilbert space of , let and be the corresponding observables acting along the -axis of the cube (i.e., acting as and on the -axis and as the identity on the and axes). Then the covariance of and in the state is equal to the covariance of and in the state :
Consider a system of three open tight-binding chains , and forming a 3D cube. Let be the maximal current vector state of the cube, and let be the maximal current vector state of the individual chain . For any two observables and acting on the Hilbert space of the chain , let and be the corresponding observables acting along the -axis of the cube (defined as and ). Then the covariance of these -axis observables in the cube state is equal to their covariance in the chain state :
The covariance of -axis observables in the cube state equals their 1D covariance.
Let , and be three open tight-binding chains. Let be the maximal current vector state of the 3D cube formed by these chains. For any two observables and acting on the Hilbert space of the -axis chain , let and denote their corresponding lifted observables on the cube's Hilbert space (representing and respectively). Then the covariance of these observables in the cube state is equal to the covariance of the original observables in the 1D maximal current vector state of the -axis chain:
Zero Covariance between and Observables in the Maximal Current Cube State
Let , and be three open tight-binding chains forming a cube. Let be the maximal current vector state of this cube. For any observable acting on the chain and any observable acting on the chain , let and be the corresponding observables acting along the and axes of the cube (representing and respectively). Then the covariance of and in the state is zero: This implies that in the maximal current state of the cube, the and axes are uncorrelated.
Zero Covariance between and Observables in the Maximal Current Cube State
In the maximal current state of a tight-binding cube, the covariance between an observable acting along the -axis and an observable acting along the -axis is zero: This implies that, in this state, measurements along the and axes are uncorrelated.
in the maximal current state of the cube
Let and be three open tight-binding chains forming a cube with Hilbert space . Let be the maximal current vector state of the cube. For any observable acting on the -axis chain and any observable acting on the -axis chain, let and be the corresponding observables acting along the and axes of the cube, respectively. Then the covariance of these observables in the state is zero: This indicates that the and axes are uncorrelated in the maximal current state.
The covariance matrix of the maximal current state of the tight-binding cube is block diagonal
For three open tight-binding chains , and forming a 3D cube, let be the maximal current state of the system. Let the set of six observables be the conjugate pairs for each axis , where is the Hamiltonian and is the position operator along that axis. Then the covariance matrix of these observables in the state is block diagonal: where each is the covariance matrix of the conjugate pair of the individual chain evaluated in its own maximal current state .
Determinant of the Covariance Matrix of in the Maximal Current State Equals
For an open tight-binding chain with sites, lattice spacing , and hopping parameter , let . Let be the covariance matrix of the conjugate pair , consisting of the Hamiltonian and the position operator, evaluated in the maximal current state . The determinant of is given by where is the uncertainty constant of the chain.
Square of the Product of Axis Brackets in the Maximal Current State of a Cube Equals the Square of the Product of terms.
Consider a 3D tight-binding cube formed by three open chains , and . Let be the maximal current vector state of the cube. For each axis , let , , and denote the lattice spacing, hopping parameter, and number of sites of the corresponding chain. Let be the expectation value of the bracket of the Hamiltonian and position operator for the -th axis, defined as . Then the square of the product of these expectation values is given by:
Determinant of the Covariance Matrix for the Maximal Current State of a Tight-Binding Cube equals
Consider a 3D tight-binding cube formed by three open chains with hopping parameters and at least two sites along each axis (). Let be the maximal current vector state of the cube, and let be the covariance matrix of the observables in the state . Then the determinant of the covariance matrix is given by where is the uncertainty constant of the -th chain and is the expectation value of the Lie bracket for the -th axis.
Strict Robertson inequality for the maximal current state of a tight-binding cube ()
Consider a 3D tight-binding cube formed by three open chains with hopping parameters and sites, respectively. Let be the maximal current vector state of the cube. Let be the set of six observables representing the Hamiltonian and position operators for each axis, i.e., . If the number of sites along each axis is at least four (), then Robertson's uncertainty relation is strict: where is the bracket matrix with entries and is the covariance matrix with entries .
