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Mott transition in a metallic liquid - Gutzwiller molecular dynamics simulations
Gia-Wei Chern, Kipton Barros, Cristian D. Batista +2
We present a formulation of quantum molecular dynamics that includes electron correlation effects via the Gutzwiller method. Our new scheme enables the study of the dynamical behav…
Gutzwiller Renormalization Group
Nicola Lanatà, Yong-Xin Yao, Xiaoyu Deng +3
We develop a variational scheme called "Gutzwiller renormalization group" (GRG), which enables us to calculate the ground state of Anderson impurity models (AIM) with arbitrary num…
Metal-insulator Transition in VO2: a DFT+DMFT perspective
W. H. Brito, M. C. O. Aguiar, K. Haule +1
We present a theoretical investigation of the electronic structure of rutile (metallic) and M and M monoclinic (insulating) phases of VO employing a fully self-consiste…
The Valence-Fluctuating Ground State of Plutonium
M. Janoschek, Pinaki Das, B. Chakrabarti +13
A central issue in material science is to obtain understanding of the electronic correlations that control complex materials. Such electronic correlations frequently arise due to t…
Correlation-enhanced odd-parity inter-orbital singlet pairing in the iron-pnictide superconductor LiFeAs
R. Nourafkan, G. Kotliar, A. -M. S. Tremblay
The rich variety of iron-based superconductors and their complex electronic structure lead to a wide range of possibilities for gap symmetry and pairing components. Here we solve i…
Finite-Temperature Gutzwiller Approximation from Time-Dependent Variational Principle
Nicola Lanatà, Xiaoyu Deng, Gabriel Kotliar
We develop an extension of the Gutzwiller approximation to finite temperatures based on the Dirac-Frenkel variational principle. Our method does not rely on any entropy inequality,…