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1.
ABSTRACTThe Coupled-Cluster (CC) theory is one of the most successful high precision methods used to solve the stationary Schrödinger equation. In this article, we address the mathematical foundation of this theory with focus on the advances made in the past decade. Rather than solely relying on spectral gap assumptions (non-degeneracy of the ground state), we highlight the importance of coercivity assumptions – Gårding type inequalities – for the local uniqueness of the CC solution. Based on local strong monotonicity, different sufficient conditions for a local unique solution are suggested. One of the criteria assumes the relative smallness of the total cluster amplitudes (after possibly removing the single amplitudes) compared to the Gårding constants. In the extended CC theory the Lagrange multipliers are wave function parameters and, by means of the bivariational principle, we here derive a connection between the exact cluster amplitudes and the Lagrange multipliers. This relation might prove useful when determining the quality of a CC solution. Furthermore, the use of an Aubin–Nitsche duality type method in different CC approaches is discussed and contrasted with the bivariational principle. 相似文献
2.
Dr. Sebastian Lars Müller Xinglong Zhou Dr. Peter Leonard Oxana Korzhenko Dr. Constantin Daniliuc Prof. Dr. Frank Seela 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(12):3077-3090
Silver-mediated α-dC–Ag+–β-dC hybrid base pairs decorated with 5-iodo- or 5-octadiynyl residues are well accommodated in duplex DNA. A strong Tm increase and favorable thermodynamic data for duplex DNA were observed after addition of silver ions. The phenomenon is particularly obvious when both nucleobases of the base pairs are functionalized. Neither the position of the base pair, nor the type of 5-substituent had a negative influence. On the contrary, functionalization of conventional silver-mediated β-dC–Ag+–β-dC homo base pairs showed a negative impact induced by the bulky substituents. To this end, cytosine modified 12-mer oligodeoxynucleotides were prepared by solid-phase synthesis employing new α-anomeric 2′-deoxycytidine phosphoramidites. A multigram scale synthesis was developed for 5-iodo-α-d -2′-deoxycytidine ( 1 ) employing the direct glycosylation of cytosine with Hoffer's α-d -halogenose followed by separation of anomeric DMT nucleosides. Regarding base-pair stability and functionalization silver-mediated α/β-dC hybrid base pairs were found to be superior to β/β-dC homo pairs. According to their extraordinary properties, they might find applications in DNA diagnostics, material science, or nanotechnology. 相似文献
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5.
C Premkumar Yesudian 《Pramana》1989,33(6):651-657
An extended technicolour grand unification model based on the gauge groupE
6×SU(7) extended technicolour is presented. The symmetry-breaking based on extended technicolour theory is discussed. It is
shown that the existing phenomenology is well explained by the model. The strangeness changing neutral currents may not be
a problem with this model. 相似文献
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7.
Let G be either a split SO(2n+2), or a split adjoint group of type En, (n=6,7,8), over a p-adic field. In this article we study correspondences arising by restricting the minimal representation of G to various dual pairs in G. 相似文献
8.
The surgery obstruction of a normal map to a simple Poincaré pair (X, Y) lies in the relative surgery obstruction group L *(π 1(Y) → π 1(X)). A well-known result of Wall, the so-called π-π-theorem, states that in higher dimensions a normal map of a manifold with boundary to a simple Poincaré pair with π 1(X) ? π 1(Y) is normally bordant to a simple homotopy equivalence of pairs. In order to study normal maps to a manifold with a submanifold, Wall introduced the surgery obstruction groups LP * for manifold pairs and splitting obstruction groups LS *. In the present paper, we formulate and prove for manifold pairs with boundary results similar to the π-π-theorem. We give direct geometric proofs, which are based on the original statements of Wall’s results and apply obtained results to investigate surgery on filtered manifolds. 相似文献
9.
We prove that for any given c, 1 < c < 17/11, almost all natural numbers are representable in the form [x
c] + [p
c], where x is a natural number and p is a prime. 相似文献
10.
A scheme for teleporting a three-particle state is proposed when three pairs of entangled particles are used as quantum channels. Quantum teleportation can be successfully realized with a certain probability if the receiver adopts an appropriate unitary-reduction strategy. The probability of successful teleportation is determined by the smaller coetficients of the three entangled pairs. 相似文献