5 papers · 1 filter
Symmetrized DMRG studies of the properties of Low-lying states of Poly-para-phenylene (PPP) system
Y. Anusooya, Swapan K. Pati, S. Ramasesha
We report the symmetrized density matrix renormalization group (DMRG) study of neutral and doped oligomers of PPP system within an extended Hubbard model. Model parameters are dete…
The Density Matrix Renormalization Group Studies of Metal-Halogen Chains within a Two-Band Extended Peierls-Hubbard Model
Y. Anusooya, Swapan K Pati, S. Ramasesha
The phase diagram of halogen-bridged mixed-valent metal complexes () has been studied using a two-band extended Peierls-Hubbard model employing the recently developed Density M…
Symmetrized PQMC Studies of the ground state of
Bhargavi Srinivasan, S. Ramasesha, H. R. Krishnamurthy
We develop a new version of the Projector Quantum Monte Carlo (SPQMC) method which preserves the symmetries of the system by simultaneously sampling all symmetr…
Variational Monte Carlo and Configurational Interaction Studies of and its Fragments
Bhargavi Srinivasan, S. Ramasesha, H. R. Krishnamurthy
The molecule and its fragments are studied using Configuration Interaction (CI) and Variational Monte Carlo (VMC) techniques, within the Hubbard model. Using benzene as a…
Symmetrized DMRG Method for Excited States of Hubbard Models
S. Ramasesha, Swapan K. Pati, H. R. Krishnamurthy +2
We extend the density matrix renormalization group method to exploit Parity, (rotation by ) and electron-hole symmtries of model Hamiltonians. We demonstrate the power of…