相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Observation of the dipole- and quadrupole-bound anions of 1,4-dicyanocyclohexane
Gaoxiang Liu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Off-center Gaussian functions: Applications toward larger basis sets, post-second-order correlation treatment, and truncated virtual orbital space in investigations of noncovalent interactions
Miroslav Melichercik et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2018)
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao et al.
MOLECULAR PHYSICS (2015)
Excess Electrons Bound to Molecular Systems with a Vanishing Dipole but Large Molecular Quadrupole
Thomas Sommerfeld et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Off-Center Gaussian Functions, an Alternative Atomic Orbital Basis Set for Accurate Noncovalent Interaction Calculations of Large Systems
Miroslav Melichercik et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
On the low-rank approximation by the pivoted Cholesky decomposition
Helmut Harbrecht et al.
APPLIED NUMERICAL MATHEMATICS (2012)
ERKALEuA flexible program package for X-ray properties of atoms and molecules
Jussi Lehtola et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis Functions
Ewa Papajak et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency
Francesco Aquilante et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Unbiased auxiliary basis sets for accurate two-electron integral approximations
Francesco Aquilante et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Starting SCF calculations by superposition of atomic densities
JH Van Lenthe et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Calculation of electron detachment energies for water cluster anions:: An appraisal of electronic structure methods, with application to (H2O)(20)over-bar and (H2O)(24)over-bar
JM Herbert et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Reduced scaling in electronic structure calculations using Cholesky decompositions
H Koch et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Curvy steps for density matrix-based energy minimization: Application to large-scale self-consistent-field calculations
Y Shao et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Polarization consistent basis sets. III. The importance of diffuse functions
F Jensen
JOURNAL OF CHEMICAL PHYSICS (2002)
Polarization consistent basis sets: Principles
F Jensen
JOURNAL OF CHEMICAL PHYSICS (2001)