The quantum phases of one-dimensional spin
s=1/2 chains are discussed for models with two parameters, frustrating exchange
g=J2>0 between second neighbors and normalized nonfrustrating power-law exchange with exponent $\ensuremath{\alpha}$ and distance dependence ${r}^{\ensuremath{-}\ensuremath{\alpha}}$. The ground state (GS) at
g=0 has a long-range order (LRO) for $\ensuremath{\alpha}<2$ and long-range spin fluctuations for $\ensuremath{\alpha}>2$. The models conserve total spin
S=SA+SB, have singlet GS for any
g, $\ensuremath{\alpha}\ensuremath{\ge}0$ and decouple at
1/g=0 to linear Heisenberg antiferromagnets on sublattices
A and
B of odd- and even-numbered sites. Exact diagonalization of finite chains gives the sublattice spin $\ensuremath{\langle}{S}_{A}^{2}\ensuremath{\rangle}$, the magnetic gap
Em to the lowest triplet state, and the excitation ${E}_{\ensuremath{\sigma}}$ to the lowest singlet with opposite inversion symmetry to the GS. An analytical model that conserves sublattice spin has a first-order quantum transition at
gc=1/4ln2 from a GS with perfect LRO to a decoupled phase with
SA=SB=0 for $g\ensuremath{\ge}4/{\ensuremath{\pi}}^{2}$ and no correlation between spins in different sublattices. The model with $\ensuremath{\alpha}=1$ has a first-order transition to a decoupled phase that closely resembles the analytical model. The bond order wave (BOW) phase and continuous quantum phase transitions of finite models with $\ensuremath{\alpha}\ensuremath{\ge}2$ are discussed in terms of GS degeneracy where ${E}_{\ensuremath{\sigma}}(g)=0$, excited state degeneracy where ${E}_{\ensuremath{\sigma}}(g)={E}_{m}(g)$, and $\ensuremath{\langle}{S}_{A}^{2}\ensuremath{\rangle}$. The decoupled phase at large frustration has nondegenerate GS for any exponent $\ensuremath{\alpha}$ and excited states related to sublattice excitations.
We study the low-energy properties of Heisenberg antiferromagnetic spin-1/2 and spin-1 systems on various clusters made up of triangles. Some of the clusters have a geometry similar to representative pieces of the Kagome lattice, while others have the geometry of a sawtooth chain. While the ground state always has the lowest possible spin (0 or 1/2), the nature of the low-energy excitations depends on the geometry and the site spin. For the Kagome clusters with spin-1 sites, the lowest excitations are gapped, with singlet and triplet excitations having similar gaps. This is in contrast to Kagome clusters with spin-1/2 sites where there are several low-energy singlet excitations (possibly gapless in the thermodynamic limit), while triplet excitations have a gap. For the sawtooth chain with spin-1 sites, the lowest excitations are triplets with a gap; the gap to singlet excitations is about twice the triplet gap.
We study the ground state and low-lying excited states of the Kitaev-Heisenberg model on a two-leg ladder geometry using the density-matrix renormalization-group and Lanczos exact diagonalization methods. The Kitaev and Heisenberg interactions are parametrized as $K=sin\ensuremath{\phi}$ and $J=cos\ensuremath{\phi}$ with an angle parameter $\ensuremath{\phi}$. Based on the results for several types of order parameters, excitation gaps, string order parameter, and entanglement spectra, the $\ensuremath{\phi}$-dependent ground state phase diagram is determined. Remarkably, the phase diagram is quite similar to that of the Kitaev-Heisenberg model on a honeycomb lattice, exhibiting the same long-range-ordered states, namely rung singlet (analog to N\'eel in three dimensions), zigzag, ferromagnetic, and stripy, and the presence of gapped spin liquids around the exactly solvable Kitaev points $\ensuremath{\phi}=\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2$. We also calculate the expectation value of a plaquette operator corresponding to a $\ensuremath{\pi}$-flux state in order to establish how the gapped Kitaev spin liquid extends away from the $\ensuremath{\phi}=\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2$. Furthermore, we determine the dynamical spin structure factor and discuss the effect of the Kitaev interaction on the spin-triplet dispersion.
By going beyond Hubbard Hamiltonian we reflected correlation effects accurately in the wavefunctions of H2. Using ab initio e-e interaction parameters resulted maximally entangled ground and third excited states. We assigned this maximally entangled character to the nonmagnetic (S=0) property of these states and also the minimally entangled character of the first excited states to its magnetic property. By switching on a magnetic field an entangled state with Sz = 0 can be extracted from a minimally entangled degenerate magnetic state. We suggest that presence of a moderate correlated system and a non-magnetic (Sz = 0) electronic state can be two criteria for finding maximally entangled electronic states in a realistic molecular system.