Matrix Product Operators, Matrix Product States, and ab initio Density Matrix Renormalization Group algorithms

Current descriptions of the ab initio DMRG algorithm use two superficially different languages: an older language of the renormalization group and renormalized operators, and a more recent language of matrix product states and matrix product operators. The same algorithm can appear dramatically different when written in the two different vocabularies. In this work, we carefully describe the translation between the two languages in several contexts. First, we describe how to efficiently implement the ab-initio DMRG sweep using a matrix product operator based code, and the equivalence to the original renormalized operator implementation. Next we describe how to implement the general matrix product operator/matrix product state algebra within a pure renormalized operator-based DMRG code. Finally, we discuss two improvements of the ab initio DMRG sweep algorithm motivated by matrix product operator language: Hamiltonian compression, and a sum over operators representation that allows for perfect computational parallelism. The connections and correspondences described here serve to link the future developments with the past, and are important in the efficient implementation of continuing advances in ab initio DMRG and related algorithms.Comment: 35 pages, 10 figure

Phosphoproteins and protein-kinase activity in isolated envelopes of pea (Pisum sativum L.) chloroplasts

A protein kinase was found in envelope membranes of purified pea (Pisum sativum L.) chloroplasts. Separation of the two envelope membranes showed that most of the enzyme activity was localized in the outer envelope. The kinase was activated by Mg2+ and inhibited by ADP and pyrophosphate. It showed no response to changes in pH in the physiological range (pH 7-8) or conventional protein substrates. Up to ten phosphorylated proteins could be detected in the envelope-membrane fraction. The molecular weights of these proteins, as determined by polyacrylamide-gel electrophoresis were: two proteins higher than 145 kDa, 97, 86, 62, 55, 46, 34 and 14 kDa. The 86-kDa band being the most pronounced. Experiments with separated inner and outer envelopes showed that most labeled proteins are also localized in the outer-envelope fraction. The results indicate a major function of the outer envelope in the communication between the chloroplast and the parent cell

Giant magnetoelectric effect in an L 2₁-ordered Co₂FeSi/Pb(Mg₁/₃Nb₂/₃)O₃-PbTiO₃ multiferroic heterostructure

We experimentally show a giant magnetoelectric (ME) effect at room temperature in an interfacial multiferroic heterostructure consisting of L2₁-ordered Co₂FeSi and Pb(Mg₁/₃Nb₂/₃)O₃-PbTiO₃ (PMN-PT). Molecular beam epitaxy growth at 400 °C enables us to obtain epitaxial and L2₁-ordered Co₂FeSi films on PMN-PT(001). For the epitaxial Co₂FeSi/PMN-PT heterostructure, the remanent magnetization state can be largely modulated by varying electric fields. We note that the room-temperature ME coupling coefficient (α) is estimated to be 6.0-6.3 × 10 - ⁶ s/m, comparable to the highest α value reported previously. Nonvolatile and repeatable magnetization changes in remanent states are also demonstrated. These results will pave the way for room-temperature electric-field control of the magnetization of half-metallic Heusler alloys in high-performance spintronic devices.T. Usami, S. Fujii, S. Yamada, Y. Shiratsuchi, R. Nakatani, and K. Hamaya, Appl. Phys. Lett. 118, 142402 (2021); https://doi.org/10.1063/5.004409

The formation of homogentisate in the biosynthesis of tocopherol and plastoquinone in spinach chloroplasts

Homogentisate is the precursor in the biosynthesis of -tocopherol and plastoquinone-9 in chloroplasts. It is formed of 4-hydroxyphenylpyruvate of the shikimate pathway by the 4-hydroxyphenylpyruvate dioxygenase. In experiments with spinach the dioxygenase was shown to be localized predominatedly in the chloroplasts. Envelope membranes exhibit the highest specific activity, however, because of the high stromal portion of chloroplasts, 60–80% of the total activity is housed in the stroma. The incorporation of 4-hydroxyphenylpyruvate into 2-methyl-6-phytylquinol as the first intermediate in the tocopherol synthesis by the two-step-reaction: 4-Hydroxyphenylpyruvate Homogentisate 2-Methyl-6-phytylquinol was demonstrated by using envelope membranes. Homogentisate originates directly from 4-hydroxyphenylpyruvate of the shikimate pathway. Additionally, a bypass exists in chloroplasts which forms 4-hydroxyphenylpyruvate from tyrosine by an L-amino-acid oxidase of the thylakoids and in peroxisomes by a transaminase reaction. Former results about the dioxygenase in peroxisomes were verified