The energy transport theorem (ETT)-based decoupling mode theory (DMT) uses diagonalizing input power operator (IPO) method to calculate the energy-decoupled modes (DMs) of wave-port-fed transmitting ...

These frequencies are calculated by diagonalizing a reduced Hessian matrix that contains the terms exclusively associated with the PreD atoms (see subsection 2.4, Factorization of the Catalytic Ratio) ...

Utilization of Reinforcement Learning in Variational Quantum State Diagonalization. - iitis/RL_for_VQSD_ansatz_optimization ...

The flourishment of non-Hermitian topology has promoted the development of skin effect, a well-known feature of the non-Hermitian systems, by which the bulk ...

The related phonon vibration frequencies are calculated by diagonalizing the force constant matrix within the density functional perturbation theory (DFPT) (Baroni et al., 2001). The BZ integration is ...

Multiconfiguration pair-density functional theory (MC-PDFT) is a multireference method that can be used to calculate excited states. However, MC-PDFT potential energy surfaces have the wrong topology ...

Substituting Equation (2) into Equation (1), and diagonalizing the strain Hamiltonian, the dispersion relation of the conduction band energy at X point can be obtained: ...

This work demonstrates a structure–property correlation in metallic glasses for the community of amorphous solids. It associates geometrically unfavored motifs, i.e., those most disordered local ...