TICC2 STATE-DEPENDENT CORRELATIONS IN NUCLEI

We use the TICC2, a translationally invariant reformulation of the coupled cluster method (CCM) at the sub(2) level, to study finite nuclei within the p-shell. These nuclei were previously studied with the linearised TICI2 wave function, but the role of the higher order terms had not been discussed for nuclei. We shall include the quadratic terms of the wave function within a coordinate-space implementation of the method, and consider state-dependent correlations with the same structure as the semi-realistic interactions used. Using CCM techniques and gaussian expansions we compute the ground-state energies of these nuclei.

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Translationally invariant coupled cluster method in coordinate space for nuclei

Journal of Physics G Nuclear and Particle Physics ◽

10.1088/0954-3899/28/6/305 ◽

2002 ◽

Vol 28 (6) ◽

pp. 1209-1222 ◽

Cited By ~ 5

Author(s):

I Moliner ◽

N R Walet ◽

R F Bishop

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Coordinate Space ◽

Coupled Cluster Method

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The translationally-invariant coupled cluster method in coordinate space

Physics Letters B ◽

10.1016/s0370-2693(00)00368-3 ◽

2000 ◽

Vol 480 (1-2) ◽

pp. 61-64 ◽

Cited By ~ 6

Author(s):

I. Moliner ◽

R.F. Bishop ◽

N.R. Walet ◽

R. Guardiola ◽

J. Navarro ◽

...

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Coordinate Space ◽

Coupled Cluster Method

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Relativistic coupled cluster method based on Dirac—Coulomb—Breit wavefunctions. Ground state energies of atoms with two to five electrons

Chemical Physics Letters ◽

10.1016/0009-2614(94)00317-3 ◽

1994 ◽

Vol 222 (1-2) ◽

pp. 82-87 ◽

Cited By ~ 37

Author(s):

Ephraim Eliav (Ilyabaev) ◽

Uzi Kaldor ◽

Yasuyuki Ishikawa

Keyword(s):

Ground State ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Ground State Energies

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COUPLED CLUSTER EXPANSIONS FOR (2 + 1) DIMENSIONAL U(1) LATTICE GAUGE THEORY WITH IMPROVED HAMILTONIAN

Modern Physics Letters A ◽

10.1142/s0217732300000724 ◽

2000 ◽

Vol 15 (11n12) ◽

pp. 737-745 ◽

Cited By ~ 2

Author(s):

XI-YAN FANG ◽

SHUO-HONG GUO ◽

JIN-MING LIU

Keyword(s):

Wave Function ◽

Gauge Theory ◽

Lattice Gauge Theory ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Cluster Expansions ◽

Lattice Gauge ◽

Seventh Order

Using coupled cluster method, we calculate the vacuum wave function and the mass gaps of (2 + 1)-dimensional U(1) lattice gauge theory with improved Hamiltonian up to the seventh order. The results are compared with those from the unimproved Hamiltonian.

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Addition by subtraction in coupled cluster theory. II. Equation-of-motion coupled cluster method for excited, ionized, and electron-attached states based on the nCC ground state wave function

The Journal of Chemical Physics ◽

10.1063/1.2747245 ◽

2007 ◽

Vol 127 (2) ◽

pp. 024106 ◽

Cited By ~ 22

Author(s):

Monika Musiał ◽

Rodney J. Bartlett

Keyword(s):

Wave Function ◽

Ground State ◽

Equation Of Motion ◽

Ground State Wave Function ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

State Wave

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Multireference State-Specific Coupled-Cluster Theory and Multiconfigurationality Index. BH Dissociation

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc20051017 ◽

2005 ◽

Vol 70 (7) ◽

pp. 1017-1033 ◽

Cited By ~ 11

Author(s):

Vladimir V. Ivanov ◽

Ludwik Adamowicz ◽

Dmitry I. Lyakh

Keyword(s):

Wave Function ◽

Numerical Results ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Computer Aided

Multiconfigurationality index calculated for the coupled-cluster wave function based on an algorithm developed using a computer-aided generation approach is applied to analyze the multireference state-specific coupled-cluster method with the CAS reference (i.e. the so called the CAS(n,m)CCSD approach). The numerical results concern dissociation of the BH molecule where at larger displacement from the equilibrium significant quasi-degeneracy arises. The analysis shows that the CAS(n,m)CCSD approach performs very well in such a situation.

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The relativistic coupled-cluster method: transition energies of bismuth and eka-bismuth

Molecular Physics ◽

10.1080/00268979809482306 ◽

1998 ◽

Vol 94 (1) ◽

pp. 181-187 ◽

Cited By ~ 26

Author(s):

EPHRAIM ELIAV ◽

UZI KALDOR ◽

YASUYUKI ISHIKAWA

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Transition Energies

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Unitary group based open-shell coupled cluster method with corrections for connected triexcited clusters. II. Applications

Molecular Physics ◽

10.1080/00268979809482293 ◽

1998 ◽

Vol 94 (1) ◽

pp. 41-54 ◽

Cited By ~ 12

Author(s):

XIANGZHU LI ◽

JOSEF PALDUS

Keyword(s):

Unitary Group ◽

Open Shell ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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A Multi-Layer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity

10.26434/chemrxiv.11853399 ◽

2020 ◽

Author(s):

Soumi Haldar ◽

Achintya Kumar Dutta

Keyword(s):

Electron Affinity ◽

Electron Attachment ◽

Equation Of Motion ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Large Molecules ◽

Layer Method ◽

Speed Up ◽

Attachment Process

We have presented a multi-layer implementation of the equation of motion coupled-cluster method for the electron affinity, based on local and pair natural orbitals. The method gives consistent accuracy for both localized and delocalized anionic states. It results in many fold speedup in computational timing as compared to the canonical and DLPNO based implementation of the EA-EOM-CCSD method. We have also developed an explicit fragment-based approach which can lead to even higher speed-up with little loss in accuracy. The multi-layer method can be used to treat the environmental effect of both bonded and non-bonded nature on the electron attachment process in large molecules.<br>

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