Fock
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Related Articles from SNS
Approximating Hartree-Fock theory via an efficiently local reformulation
Announce Type: new Abstract: We explore a reorganized framework for the Hartree Fock equations that allows varying patterns of locality to be imposed on the molecular orbitals while maintaining a highly efficient self-consistent field optimization algorithm. Rather than limiting orbitals' spread and then variationally minimizing the energy within those limits, our reorganization neatly pairs each local degree of freedom with a specific solution condition that itself has a naturally local...
Klein--Gordon and Dirac Oscillators with an Apparent Mass Induced by the Momentum-Space Dual of the Fock--Lorentz Transformations
arXiv:2606.05226v1 Announce Type: new Abstract: We propose a controlled momentum-space dual of the Fock--Lorentz (FL) transformations and use it to derive a deformed relativistic mass shell. Restricting the FL conformal factor to the cosmological-frame world line $\vx=0$, the invariant relation takes the form $(E^{2}-\vp^{2}c^{2})(1+ct/R)^{2}=m_{0}^{2}c^{4}$, which is equivalent to the standard special-relativistic dispersion law with a time-dependent apparent mass $\mapp(t)=m_{0}/(1+ct/R)$....
RLEASE: Reinforcement Learning Efficient Active Space Engine
arXiv:2606.07879v1 Announce Type: new Abstract: Selecting the active space for multireference electronic-structure calculations is a long-standing bottleneck that often requires expert chemical intuition and costly trial-and-error. We introduce RLEASE (Reinforcement Learning Efficient Active Space Engine), a low-cost method for automatic, geometry-dependent active-space selection. A neural network predicts per-orbital diagnostic scores ($\hat{s}_{1}$) from inexpensive Hartree-Fock orbital...
Ukraine launches massive attack on Russia hours after Putin snubs 'rude' Zelensky
Ukraine launches massive attack on Russia hours after Putin snubs 'rude' Zelensky Kyiv sent a barrage of missiles at Russia with a fire started at a military base hours after Vladimir Putin snubbed Volodymyr Zelensky’s call for face-to-face talks to end the war. A massive Ukrainian drone strike has left a number of key Russian military sites up in flames, just hours after Vladimir Putin snubbed Volodymyr Zelensky’s call for face-to-face talks to end the war. Kyiv launched a series of strikes...
Lie algebraic invariants in quantum linear optics
arXiv:2409.12223v3 Announce Type: replace-cross Abstract: Quantum linear optics without post-selection is not powerful enough to produce any quantum state from a given input state. This limits its utility since some applications require entangled resources that are difficult to prepare.
Quantum Kravchuk Transform using $\mathfrak{su}(2)$ fast-forwarding
arXiv:2606.08443v1 Announce Type: cross Abstract: We present a quantum algorithm for the Kravchuk transform that scales logarithmically in both the dimension and the inverse of the error parameter. The quantum Kravchuk transform maps computational basis states to states with amplitudes proportional to Kravchuk functions. We achieve this by combining two key techniques: the structural relationship between the Kravchuk transform and the Lie algebras $\mathfrak{su}(2)$, and a recent...
Discovering autonomous quantum error correction via deep reinforcement learning
Announce Type: replace-cross Abstract: Quantum error correction is essential for fault-tolerant quantum computing. However, standard methods relying on active measurements may introduce additional errors. Autonomous quantum error correction (AQEC) circumvents this by utilizing engineered dissipation and drives in bosonic systems, but identifying practical encoding remains challenging due to stringent Knill-Laflamme conditions.
B-Spline for Self-Consistent Field Theory with a Z-Dependent Pauli Potential for Atomic Binding Energies
arXiv:2606.07273v1 Announce Type: new Abstract: Polymer self-consistent field theory (SCFT) has recently been established as a promising alternative framework to Kohn-Sham density functional theory (KS-DFT) for modeling quantum many-body systems. It uses real-valued propagators instead of orbitals, simplifying the self-consistent numerical solution.