Enlarging Maurer-Cartan form via Kronecker product and construction of Coupled Integrable systems by Nilpotent, Hadamard, Idempotent and K-idempotent matrix

Coupled nonlinear integrable systems are generated from usual zero curvature equation. The relevant Maurer-Cartan forms are constructed by combining suitably chosen matrices (nilpotent, Hadamard, idempotent and k-idempotent) and Lie algebraic elements via Kronecker product. In each case a closure type property among the matrices chosen is found to be playing a key role to produce both the coupling and nonlinearity present in the system of equations obtained. The method is highly flexible and can be used to construct general systems containing 'p' number of equations. It is also shown that these new equations can be written in the Hamiltonian form (with a preassigned symplectic operator) with the trace identity introduced by Tu. Since the Lax operator is known one can obtain the hereditary operators signifying the complete integrability. Various properties of Kronecker product are found to be useful in our construction.Comment: 16 page

Eigenvalues of the Anti-periodic Calogero - Sutherland Model

The U(1) Calogero Sutherland Model (CSM) with anti-periodic boundary condition is studied. The Hamiltonian is reduced to a convenient form by similarity transformation. The matrix representation of the Hamiltonian acting on a partially ordered state space is obtained in an upper triangular form. Consequently the diagonal elements become the energy eigenvalues.Comment: 1 figur

Derivation of time-dependent transition probability for 2e−2h2\mathrm{e}-2\mathrm{h} generation from 1e−1h1\mathrm{e}-1\mathrm{h} state in the presence of external electromagnetic field

In this work, we investigate the effect of electromagnetic (EM) field on the generation of 2e-2h states from 1e-2h states. One of the fundamental ways by which electromagnetic (EM) waves interact with matter is by the generation of excited electronic states. The interaction of EM field with atoms and molecules is given by the field-dependent Hamiltonian. Excited states are intrinsically transient in nature because they are not stationary states of the field-dependent Hamiltonian. Consequently, the time-dependent dynamics of excited states depend strongly on the external electromagnetic field. Starting with the 1e-1h excitation in a general many-electron system, the system was propagated in time using time-dependent perturbation theory (TDPT). The expression for time-dependent transition probability of $(1\mathrm{e}-1\mathrm{h}) \rightarrow (2\mathrm{e}-2\mathrm{h})$ was evaluated for a given time $t$ up to second-order in TDPT using diagrammatic techniques. The derivation does not assume any a priori approximations to the electron-electron correlation operator and presents the derivation of a complete set of contributing diagrams associated with the full configuration interaction wave function. The result from this work show that the calculation of time-dependent transition probability can be factored into a time-independent and time-dependent components. This is a significant outcome for efficient computation of the time-dependent transition probability because it allows for pre-computation of time-independent components before the start of the calculations.Comment: 18 pages, 5 figures, 106 equations, diagrammatic representatio

Effect of dot size on exciton binding energy and electron-hole recombination probability in CdSe quantum dots

Exciton binding energy and electron-hole recombination probability are presented as the two important metrics for investigating effect of dot size on electron-hole interaction in CdSe quantum dots. Direct computation of electron-hole recombination probability is challenging because it requires an accurate mathematical description of electron-hole wavefunction in the neighborhood of the electron-hole coalescence point. In this work, we address this challenge by solving the electron-hole Schrodinger equation using the electron-hole explicitly correlated Hartree-Fock (eh-XCHF) method. The calculations were performed for a series of CdSe clusters ranging from $\mathrm{Cd}_{20}\mathrm{Se}_{19}$ to $\mathrm{Cd}_{74608}\mathrm{Se}_{74837}$ that correspond to dot diameter range of 1-20 nm. The calculated exciton binding energies and electron-hole recombination probabilities were found to decrease with increasing dot size. Both of these quantities were found to scale as $D_\mathrm{dot}^{-n}$ with respect to the dot diameter D. One of the key insights from this study is that the electron-hole recombination probability decreases at a much faster rate than the exciton binding energy as a function of dot size. It was found that an increase in the dot size by a factor of 16.1, resulted in a decrease in the exciton binding energy and electron-hole recombination probability by a factor of 14.4 and $5.5\times10^{6}$, respectively.Comment: 10 pages, 4 figure

A New form of Kr\"onecker product-Lax pair and coupled systems

A new method is proposed to generate nonlinear integrable systems by starting with existing Lax pair and a new form of Kr\"onecker product. It is observed that such equation can be generated with the help of a Hamiltonian structure. Actually they are all bi-Hamiltonian. A few explicit form of such equations are given alsoComment: 12 pages no figure

On A New Form of Darboux-B\"acklund Transformation for DNLS Equation-Mixed and Rational Type Solutions

A new form of Darboux-B\"acklund transformation and its higher order form is derived for Derivative Nonlinear Schrodinger Equation(DNLS). The new form arises due to the different form of Lax pair. It is observed that by a special choice of the eigenvalue of DB transformation one can generate a mixed form of solution(containing both algebraic and exponential dependence on (x, t) can be generated. On the other hand by adopting a new methodology due to Neugebauer et. al. it is found that purely rational solution can be constructed. The two different approach yields different class of solution and are compared.Comment: 12 pages 8 figure

Development of composite control-variate stratified sampling approach for efficient stochastic calculation of molecular integrals

In this work, the composite control-variate stratified sampling (CCSS) method is presented for calculation of MO integrals without transformation of AO integrals. The central idea of this approach is to obtain the 2-electron MO integrals by direct integration of 2-electron coordinates. This method does not require or use pre-computed AO integrals and the value of the MOs at any point in space is obtained directly from the linear combination of AOs. The integration over the electronic coordinates was performed using stratified sampling Monte Carlo method. This approach was implemented by dividing the integration region into a set of non-overlapping segments and performing Monte Carlo calculations on each segment. The Monte Carlo sampling points for each segment were optimized to minimize the total variance of the sample mean. Additional variance reduction of the overall calculations was achieved by introducing control-variate in the stratified sampling scheme. The composite aspect of the CCSS allows for simultaneous computation of multiple MO integrals during the stratified sampling evaluation. The main advantage of the CCSS method is that unlike rejection sampling Monte Carlo methods such as Metropolis algorithm, the stratified sampling uses all instances of the calculated functions for the evaluation of the sample mean. The CCSS method is designed to be used for large systems where AO-to-MO transformation is computationally prohibitive. Because it is based on numerical integration, the CCSS method can be applied to a wide variety of integration kernels and does not require \textit{a priori} knowledge of analytical integrals. In this work, the developed CCSS method was applied for calculation of excitonic properties in CdSe quantum dots using electron-hole explicitly correlated Hartree-Fock (eh-XCHF) and geminal-screened electron-hole interaction kernel (GSIK) methods.Comment: 13 page

On The Darboux B\"acklund Transformation of Optical Solitons with Resonant and Nonresonant Nonlinearity

Solitons in nonlinear optics holds a special role both in theoretical and experimental studies. Several types of evolution equations are seen to govern different situation of physical relevance. One such is the existence of both resonant and nonresonant situation in optical fibre. The corresponding evolution equation was devised by Doktorov et. al., which consists of a forced NLS equation along with two other equations for population difference and polarization. Here, we have followed an earlier formulation of Neugebauer for Darboux-B\"acklund transformation for this coupled systems. This formalism has the advantage that one can write the N-soliton solution altogether.An important difference with the usual non-linear system is that all the field variables are not present in both part of Lax operator. So we are to apply the DT to both part separately.Comment: 6 pages no figure

Determination of electron-hole correlation length in CdSe quantum dots using explicitly correlated two-particle cumulant

The electron-hole correlation length serves as an intrinsic length scale for analyzing excitonic interactions in semiconductor nanoparticles. In this work, the derivation of electron-hole correlation length using the two-particle reduced density is presented. The correlation length was obtained by first calculating the electron-hole cumulant from the pair density,and then transforming the cumulant into intracular coordinates, and finally then imposing exact sum-rule conditions on the radial integral of the cumulant. The excitonic wave function for the calculation was obtained variationally using the electron-hole explicitly correlated Hartree-Fock method. As a consequence, both the pair density and the cumulant were explicit functions of the electron-hole separation distance. The use of explicitly correlated wave function and the integral sum-rule condition are the two key features of this derivation. The method was applied to a series of CdSe quantum dots with diameters 1-20 nm and the effect of dot size on the correlation length was analyzed.Comment: keywords: explicitly correlated, Gaussian-type geminal, electron-hole correlation, reduced density matrix, cumulant, transition density matri

Calogero-Sutherland Model with Anti-periodic Boundary Conditions: Eigenvalues and Eigenstates

The U(1) Calogero Sutherland Model with anti-periodic boundary condition is studied. The Hamiltonian is reduced to a convenient form by similarity transformation. The matrix representation of the Hamiltonian acting on a partially ordered state space is obtained in an upper triangular form. Consequently the diagonal elements become the energy eigenvalues. The eigenstates are constructed using Young diagram and represented in terms of Jack symmetric polynomials. The eigenstates so obtained are orthonormalized.Comment: 9 pages, 4 figure