Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory.
about
Tensor hypercontracted ppRPA: reducing the cost of the particle-particle random phase approximation from O(r(6)) to O(r(4)).Electron-correlated fragment-molecular-orbital calculations for biomolecular and nano systems.Tensor representation techniques for full configuration interaction: A Fock space approach using the canonical product format.Discrete variable representation in electronic structure theory: quadrature grids for least-squares tensor hypercontraction.Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity.Communication: Almost error-free resolution-of-the-identity correlation methods by null space removal of the particle-hole interactions.Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations.Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2.Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction.Compressed representation of dispersion interactions and long-range electronic correlations.Communication: A difference density picture for the self-consistent field ansatz.Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction.Communication: Active-space decomposition for molecular dimers.A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units.The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling.Comment on "Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure" [J. Chem. Phys. 143, 064103 (2015)].Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions.Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations.Tensor-structured coupled cluster theory.Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions.Atomic-batched tensor decomposed two-electron repulsion integrals.Efficient algorithms for solving the non-linear vibrational coupled-cluster equations using full and decomposed tensors.Low rank factorization of the Coulomb integrals for periodic coupled cluster theory.The Laplace transformed divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation (DEC-LT-RIMP2) theory method.Tensor numerical methods in quantum chemistry: from Hartree-Fock to excitation energies.Charge-constrained auxiliary-density-matrix methods for the Hartree-Fock exchange contribution.Towards a pair natural orbital coupled cluster method for excited states.Analytic energy gradients for the coupled-cluster singles and doubles method with the density-fitting approximation.Speeding up equation of motion coupled cluster theory with the chain of spheres approximation.Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices.Cubic-scaling algorithm and self-consistent field for the random-phase approximation with second-order screened exchange.Multi-level coupled cluster theory.Cholesky-decomposed density MP2 with density fitting: accurate MP2 and double-hybrid DFT energies for large systems.Tensor decomposition in post-Hartree-Fock methods. II. CCD implementation.Robust fitting techniques in the chain of spheres approximation to the Fock exchange: The role of the complementary space.The multilevel CC3 coupled cluster model.Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation
P2860
Q35207379-10660680-FFB3-4EF6-B396-E90C91F654BEQ38205183-FBF2F209-4A16-450D-93F0-877B71ABCCAEQ38846181-D37280C2-2A8C-4BED-B067-F3BB9A772877Q39414454-39A617E2-EC40-4869-9EF2-F554738563D7Q39786273-7B22D948-70C8-4271-BF1F-E0BC91C8C935Q42216192-D75B0F7F-F7A1-419E-A937-C44DC74C8CDBQ44686118-27407AFC-5F2A-48E7-AB27-9806E31D5C24Q45906391-A289192F-66C7-4028-A7B7-977DEE8D90EDQ45931516-5BAB8BCD-53BE-44C8-AC37-B8E1E003064EQ45940202-3DEBD9FF-09AB-4A8B-AE7F-48C4C1DDC834Q45959935-04D58E02-377E-4C02-B329-C023B63E7688Q46170037-A1A73A77-5991-42A6-900F-C5904239119AQ46174266-3690CAA1-A585-472B-B72E-5B66ACDBF4D0Q46203408-B5419F70-13F9-4E25-BA83-5F79CE2E6FE9Q46564294-2D6F7067-5DAA-4F7B-85A5-2BB31D72E184Q46599644-3B2433A1-34A9-4421-B21E-0EFE2C24425DQ46670218-138F0ACE-E233-468C-AEC6-D368D7A99993Q47563917-451B4049-9391-48E7-B5F4-9C1407C0A6C8Q47608035-3E8F63F1-0EE4-4433-9355-CF2392499393Q47837880-0F25D5BC-6503-4E0D-B132-CDFFC5DD08A6Q47894754-57E808DA-C474-40EA-A360-9348481B8511Q47894766-56C6D3EA-3C2D-4599-AEC4-0772F655BED3Q47895942-BB83CE1D-D3B8-4269-9132-D67B469801A0Q48048426-0085C6B8-0DEF-40C8-ABEA-0C7696BC313EQ48797942-AE070C8B-A4FF-438C-8075-8E2737384B55Q48829598-98FA2078-56CF-47F4-A362-3B6AB3164A0CQ50605616-331D3DA8-9651-49C9-AFA0-D49E255A23D4Q50650781-449CE801-21D5-4347-8BEE-A957616A77B1Q50675350-DB31F45E-DA44-4287-9501-CD3D8C6AA005Q50849573-F92060B2-AE74-482A-B999-D8B9386851BCQ50865260-48C4C475-1C8A-43C3-AD1E-DB39A44F4FB8Q50996016-3CBDBEC9-9D71-46D8-B019-AB733EFDB4BCQ51079345-C347109C-3757-4450-B8FA-34B0B05FE244Q51134033-BF181F0E-AB28-4831-AE2C-5D0F7A2F4A8EQ51165273-DB9F281F-B69E-4225-9FC6-E5C250EBD76BQ53585957-B837234C-C0EE-44F4-B874-7CE81D6C4ADAQ58009217-5E43A1CD-7E04-488C-8D88-286008FC7B3F
P2860
Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年学术文章
@wuu
2012年学术文章
@zh
2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
2012年學術文章
@yue
2012年學術文章
@zh-hant
name
Tensor hypercontraction densit ...... r-Plesset perturbation theory.
@en
Tensor hypercontraction densit ...... r-Plesset perturbation theory.
@nl
type
label
Tensor hypercontraction densit ...... r-Plesset perturbation theory.
@en
Tensor hypercontraction densit ...... r-Plesset perturbation theory.
@nl
prefLabel
Tensor hypercontraction densit ...... r-Plesset perturbation theory.
@en
Tensor hypercontraction densit ...... r-Plesset perturbation theory.
@nl
P2093
P356
P1476
Tensor hypercontraction densit ...... r-Plesset perturbation theory.
@en
P2093
Edward G Hohenstein
Robert M Parrish
Todd J Martínez
P304
P356
10.1063/1.4732310
P407
P577
2012-07-01T00:00:00Z