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。Analytical energy gradient in variational calculations of the two lowest 3P states of the carbon atom with explicitly correlated Gaussian basis functions
Keeper L. Sharkey et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Argon pair potential at basis set and excitation limits
Konrad Patkowski et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Relativistic and Quantum Electrodynamics Effects in the Helium Pair Potential
M. Przybytek et al.
PHYSICAL REVIEW LETTERS (2010)
Interatomic Coulombic Decay following Photoionization of the Helium Dimer: Observation of Vibrational Structure
T. Havermeier et al.
PHYSICAL REVIEW LETTERS (2010)
Single Photon Double Ionization of the Helium Dimer
T. Havermeier et al.
PHYSICAL REVIEW LETTERS (2010)
Ab initio properties of gaseous helium
James B. Mehl
COMPTES RENDUS PHYSIQUE (2009)
Infinite-Order Functional for Nonlinear Parameters Optimization in Explicitly Correlated Coupled Cluster Theory
Michal Przybytek et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)
Non-Born-Oppenheimer calculations of the BH molecule
Sergiy Bubin et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
How to calculate H3 better
Michele Pavanello et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Higher-order explicitly correlated coupled-cluster methods
Toru Shiozaki et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Explicitly correlated connected triple excitations in coupled-cluster theory
Andreas Koehn
JOURNAL OF CHEMICAL PHYSICS (2009)
Theoretical Determination of the Dissociation Energy of Molecular Hydrogen
Konrad Piszczatowski et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Five lowest 1S states of the Be atom calculated with a finite-nuclear-mass approach and with relativistic and QED corrections
Monika Stanke et al.
PHYSICAL REVIEW A (2009)
Ultra-high accuracy calculations for hydrogen molecule and helium dimer
Wojciech Cencek et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2008)
Complete basis set extrapolations of dispersion, exchange, and coupled-clusters contributions to the interaction energy: A helium dimer study
Malgorzata Jeziorska et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2008)
Explicitly correlated coupled cluster F12 theory with single and double excitations
Jozef Noga et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Potential energy surface for interactions between two hydrogen molecules
Konrad Patkowski et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Quantitative quantum chemistry
Trygve Helgaker et al.
MOLECULAR PHYSICS (2008)
Second-order Moller-Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theory
Pal Dahle et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Direct calculation of interaction-induced molecular properties: An application to the relativistic mass-velocity and Darwin terms in the interaction energy of hydrogen atoms
Konrad Piszczatowski et al.
PHYSICAL REVIEW A (2008)
A simple and efficient CCSD(T)-F12 approximation
Thomas B. Adler et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Solving the Schrodinger equation of atoms and molecules without analytical integration based on the free iterative-complement-interaction wave function
H. Nakatsuji et al.
PHYSICAL REVIEW LETTERS (2007)
Ab initio potential energy curve for the helium atom pair and thermophysical properties of dilute helium gas.: I.: Helium-helium interatomic potential
Robert Hellmann et al.
MOLECULAR PHYSICS (2007)
The weak orthogonality functional in explicitly correlated pair theories
David P. Tew et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data
Malgorzata Jeziorska et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Accurate pair interaction energies for helium from supermolecular gaussian geminal Calculations
Konrad Patkowski et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Accurate quantum-chemical calculations using Gaussian-type geminal and Gaussian-type orbital basis sets: applications to atoms and diatomics
Pal Dahle et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Determination of the Boltzmann constant - status and prospects
B. Fellmuth et al.
MEASUREMENT SCIENCE AND TECHNOLOGY (2006)
R12 methods in explicitly correlated molecular electronic structure theory
Wim Klopper et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2006)
Transport properties of argon at zero density from viscosity-ratio measurements
Eric F. May et al.
METROLOGIA (2006)
High precision variational calculations for the Born-Oppenheimer energies of the ground state of the hydrogen molecule
James S. Sims et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
High precision variational calculations for the Born-Oppenheimer energies of the ground state of the hydrogen molecule
JS Sims et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Radiative correction to the helium dimer interaction energy
K Pachucki et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Acoustic thermometry: new results from 273 K to 77 K and progress towards 4 K
L Pitre et al.
METROLOGIA (2006)
Relativistic correction to the helium dimer interaction energy
W Cencek et al.
PHYSICAL REVIEW LETTERS (2005)
Free iterative-complement-interaction calculations of the hydrogen molecule
Y Kurokawa et al.
PHYSICAL REVIEW A (2005)
New correlation factors for explicitly correlated electronic wave functions
DP Tew et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Temperature metrology
J Fischer et al.
REPORTS ON PROGRESS IN PHYSICS (2005)
Analysis of the errors in explicitly correlated electronic structure theory
AJ May et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion
K Patkowski et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Helium dimer interaction energies from Gaussian geminal and orbital calculations
W Cencek et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
An explicitly correlated second order Moller-Plesset theory using a frozen Gaussian geminal
AJ May et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Radiative corrections to the polarizability of helium
G Lach et al.
PHYSICAL REVIEW LETTERS (2004)
Initiation of explicitly correlated Slater-type geminal theory
S Ten-No
CHEMICAL PHYSICS LETTERS (2004)
Quasi-spherical cavity resonators for metrology based on the relative dielectric permittivity of gases
EF May et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2004)
On the performance of bond functions and basis set extrapolation techniques in high-accuracy calculations of interatomic potentials. A helium dimer study
M Jeziorska et al.
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS (2003)
Breit-Pauli and direct perturbation theory calculations of relativistic helium polarizability
W Cencek et al.
PHYSICAL REVIEW LETTERS (2001)
Determination of the bond length and binding energy of the helium dimer by diffraction from a transmission grating
RE Grisenti et al.
PHYSICAL REVIEW LETTERS (2000)
Ab initio values of the thermophysical properties of helium as standards
JJ Hurly et al.
JOURNAL OF RESEARCH OF THE NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY (2000)