We propose and implement in this paper a highly correlated method for computing dynamic polarizability of closed-shell atoms and molecules and the van der Waals coefficient C6 of atoms within the framework of coupled cluster based linear response theory (CC-LRT). Excitation energies (EE), oscillator strengths and the dynamic dipole polarizability have been computed for He, Be and CH+. The coefficient C6 has been calculated for He and Be. Comparison with the existing data and high quality CI results is found to be quite encouraging, indicating the promise of the method
A local approximation for dynamic polarizability leads to a nonlocal functional for the long-range d...
A coupled-cluster (CC) response functions theory for molecular solutes described with the framew...
International audienceThe authors present an efficient perturbative method to obtain both static and...
A simple and computationally efficient scheme to calculate approximate imaginary-frequency-dependent...
Coupled-cluster singles and doubles linear response (CCLR) calculations have been presented for freq...
<p>Abstract: </p> <p>The parallel implementation of coupled-cluster response theory within NWChem an...
Abstract: Time-dependent coupled cluster theory, with unrestricted electron spins and full treatment...
A derivation of the linear response function for the Brueckner coupled cluster method is presented t...
The present paper gives an account of investigations of the polarizability of the alkali atoms Li, N...
We report on a technique to determine the van der Waals coefficients of lithium (Li) atoms based on ...
Contains fulltext : 34850.pdf (publisher's version ) (Open Access)The dynamic scal...
An atomic integral-direct implementation of molecular linear-response properties and excited-state o...
We demonstrate computation of total dynamic multipole polarizabilities using path-integral Monte Car...
The computation of the frequency dependent linear and quadratic response functions is formulated at ...
cited By 5International audienceDipole polarizabilities (α), first (β) and second (γ) hyperpolarizab...
A local approximation for dynamic polarizability leads to a nonlocal functional for the long-range d...
A coupled-cluster (CC) response functions theory for molecular solutes described with the framew...
International audienceThe authors present an efficient perturbative method to obtain both static and...
A simple and computationally efficient scheme to calculate approximate imaginary-frequency-dependent...
Coupled-cluster singles and doubles linear response (CCLR) calculations have been presented for freq...
<p>Abstract: </p> <p>The parallel implementation of coupled-cluster response theory within NWChem an...
Abstract: Time-dependent coupled cluster theory, with unrestricted electron spins and full treatment...
A derivation of the linear response function for the Brueckner coupled cluster method is presented t...
The present paper gives an account of investigations of the polarizability of the alkali atoms Li, N...
We report on a technique to determine the van der Waals coefficients of lithium (Li) atoms based on ...
Contains fulltext : 34850.pdf (publisher's version ) (Open Access)The dynamic scal...
An atomic integral-direct implementation of molecular linear-response properties and excited-state o...
We demonstrate computation of total dynamic multipole polarizabilities using path-integral Monte Car...
The computation of the frequency dependent linear and quadratic response functions is formulated at ...
cited By 5International audienceDipole polarizabilities (α), first (β) and second (γ) hyperpolarizab...
A local approximation for dynamic polarizability leads to a nonlocal functional for the long-range d...
A coupled-cluster (CC) response functions theory for molecular solutes described with the framew...
International audienceThe authors present an efficient perturbative method to obtain both static and...