抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

Physical Review B

IN two previous notes1, Prof. Max Born and I have shown that one can obtain a theory of superconductivity by taking account of the fact that the interaction of the electrons with the ionic lattice is appreciable only near the boundaries of Brillouin zones, and particularly strong near the corners of these. This leads to the criterion that the metal should be superconductive if a set of corners of a Brillouin zone is lying very near the Fermi surface, considered as a sphere, which limits the region in the momentum space completely filled with electrons.

On the theory of superconductivity

Challenges for density functional theory.

Associate DIETRICH BELITZ, University of Oregon Editors: Condensed Matter Physics (Theoretical) J. IGNACIO CIRAC, Max-Planck-Institut für Quantenoptik Quantum Information RAYMOND E. GOLDSTEIN, University of Cambridge Biological Physics ARTHUR F. HEBARD, University of Florida Condensed Matter Physics (Experimental) RANDALL D. KAMIEN, University of Pennsylvania Soft Condensed Matter DANIEL KLEPPNER, Massachusetts Institute of Technology Atomic, Molecular, and Optical Physics (Experimental) PAUL G. LANGACKER, Institute for Advanced Study, Princeton University Particle Physics (Theoretical) VERA LÜTH, Stanford University Particle Physics (Experimental) DAVID D. MEYERHOFER, University of Rochester Physics of Plasmas and Matter at High-Energy Density WITOLD NAZAREWICZ, University of Tennessee, Oak Ridge National Laboratory Nuclear Physics JOHN H. SCHWARZ, California Institute of Technology Mathematical Physics FRIEDRICH-KARL THIELEMANN, Universität Basel Astrophysics Senior Assistant Editor: DEBBIE BRODBAR, APS Editorial Office American Physical Society

Reviews of Modern Physics

We formulate an adiabatic connection for the exchange-correlation energy in terms of pairing matrix fluctuation. This connection opens new channels for density functional approximations based on pairing interactions. Even the simplest approximation to the pairing matrix fluctuation, the particle-particle random phase approximation (pp-RPA), has some highly desirable properties. It has no delocalization error with a nearly linear energy behavior for systems with fractional charges, describes van der Waals interactions similarly and thermodynamic properties significantly better than particle-hole RPA, and eliminates static correlation error for single-bond systems. Most significantly, the pp-RPA is the first known functional that has an explicit and closed-form dependence on the occupied and unoccupied orbitals and captures the energy derivative discontinuity in strongly correlated systems. These findings illustrate the potential of including pairing interactions within a density functional framework.

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Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random-phase approximation

The isoelectronic series of Be, Ne, and Si are investigated using a variational determination of the second-order density matrix. A semidefinite program was developed that exploits all rotational and spin symmetries in the atomic system. We find that the method is capable of describing the strong static electron correlations due to the incipient degeneracy in the hydrogenic spectrum for increasing central charge. Apart from the ground-state energy, various other properties are extracted from the variationally determined second-order density matrix. The ionization energy is constructed using the extended Koopmans' theorem. The natural occupations are also studied, as well as the correlated Hartree-Fock-like single-particle energies. The exploitation of symmetry allows to study the basis set dependence and results are presented for correlation-consistent polarized valence double, triple, and quadruple zeta basis sets.

/pdf/variational-determination-of-the-second-order-density-matrix-9z3jj1r0yf.pdf

Variational determination of the second-order density matrix for the isoelectronic series of beryllium, neon, and silicon

We present an analytical proof and numerical demonstrations of the equivalence of the correlation energy from particle-particle random phase approximation (pp-RPA) and ladder-couple-cluster-doubles (ladder-CCD). These two theories reduce to the identical algebraic matrix equation and correlation energy expressions, under the assumption that the pp-RPA equation is stable. The numerical examples illustrate that the correlation energy missed by pp-RPA in comparison with couple-cluster single and double is largely canceled out when considering reaction energies. This theoretical connection will be beneficial to future pp-RPA studies based on the well established couple cluster theory.

/pdf/equivalence-of-particle-particle-random-phase-approximation-200tcnkclh.pdf

Equivalence of Particle-Particle Random Phase Approximation Correlation Energy and Ladder-Coupled-Cluster-Double

Double, Rydberg, and charge transfer (CT) excitations have been great challenges for time-dependent density functional theory (TDDFT). Starting from an (N ± 2)-electron single-determinant reference, we investigate excitations for the N-electron system through the pairing matrix fluctuation, which contains information on two-electron addition/removal processes. We adopt the particle-particle random phase approximation (pp-RPA) and the particle-particle Tamm-Dancoff approximation (pp-TDA) to approximate the pairing matrix fluctuation and then determine excitation energies by the differences of two-electron addition/removal energies. This approach captures all types of interesting excitations: single and double excitations are described accurately, Rydberg excitations are in good agreement with experimental data and CT excitations display correct 1/R dependence. Furthermore, the pp-RPA and the pp-TDA have a computational cost similar to TDDFT and consequently are promising for practical calculations.

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Double, Rydberg and charge transfer excitations from pairing matrix fluctuation and particle-particle random phase approximation

The recent proposal to determine the (exact) correlation energy based on pairing matrix fluctuations by van Aggelen et al. [“Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation,” preprint arXiv:1306.4957 (2013)] revived the interest in the simplest approximation along this path: the particle-particle random phase approximation (pp-RPA). In this paper, we present an analytical connection and numerical demonstrations of the equivalence of the correlation energy from pp-RPA and ladder-coupled-cluster doubles. These two theories reduce to identical algebraic matrix equations and correlation energy expressions. The numerical examples illustrate that the correlation energy missed by pp-RPA in comparison with coupled-cluster singles and doubles is largely canceled out when considering reaction energies. This theoretical connection will be beneficial to design density functionals with strong ties to coupled-cluster theories and to study molecular proper...

/pdf/equivalence-of-particle-particle-random-phase-approximation-4o82t7j13r.pdf

Helen van Aggelen

Papers

Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random-phase approximation

Variational determination of the second-order density matrix for the isoelectronic series of beryllium, neon, and silicon

Equivalence of Particle-Particle Random Phase Approximation Correlation Energy and Ladder-Coupled-Cluster-Double

Double, Rydberg and charge transfer excitations from pairing matrix fluctuation and particle-particle random phase approximation

Equivalence of particle-particle random phase approximation correlation energy and ladder-coupled-cluster doubles.