Upload File

density functional theory of atoms and molecules

  • Home
  • Documents
  • Density functional theory of atoms and molecules
338

Upload: eric

Post on 01-Nov-2014

472 views

Category:

Documents


160 download

Report

DESCRIPTION

Parr R. and Yang W.

TRANSCRIPT

Page 1: Density functional theory of atoms and molecules
Page 2: Density functional theory of atoms and molecules
Page 3: Density functional theory of atoms and molecules
Page 4: Density functional theory of atoms and molecules
Page 5: Density functional theory of atoms and molecules
Page 6: Density functional theory of atoms and molecules
Page 7: Density functional theory of atoms and molecules
Page 8: Density functional theory of atoms and molecules
Page 9: Density functional theory of atoms and molecules
Page 10: Density functional theory of atoms and molecules
Page 11: Density functional theory of atoms and molecules
Page 12: Density functional theory of atoms and molecules
Page 13: Density functional theory of atoms and molecules
Page 14: Density functional theory of atoms and molecules
Page 15: Density functional theory of atoms and molecules
Page 16: Density functional theory of atoms and molecules
Page 17: Density functional theory of atoms and molecules
Page 18: Density functional theory of atoms and molecules
Page 19: Density functional theory of atoms and molecules
Page 20: Density functional theory of atoms and molecules
Page 21: Density functional theory of atoms and molecules
Page 22: Density functional theory of atoms and molecules
Page 23: Density functional theory of atoms and molecules
Page 24: Density functional theory of atoms and molecules
Page 25: Density functional theory of atoms and molecules
Page 26: Density functional theory of atoms and molecules
Page 27: Density functional theory of atoms and molecules
Page 28: Density functional theory of atoms and molecules
Page 29: Density functional theory of atoms and molecules
Page 30: Density functional theory of atoms and molecules
Page 31: Density functional theory of atoms and molecules
Page 32: Density functional theory of atoms and molecules
Page 33: Density functional theory of atoms and molecules
Page 34: Density functional theory of atoms and molecules
Page 35: Density functional theory of atoms and molecules
Page 36: Density functional theory of atoms and molecules
Page 37: Density functional theory of atoms and molecules
Page 38: Density functional theory of atoms and molecules
Page 39: Density functional theory of atoms and molecules
Page 40: Density functional theory of atoms and molecules
Page 41: Density functional theory of atoms and molecules
Page 42: Density functional theory of atoms and molecules
Page 43: Density functional theory of atoms and molecules
Page 44: Density functional theory of atoms and molecules
Page 45: Density functional theory of atoms and molecules
Page 46: Density functional theory of atoms and molecules
Page 47: Density functional theory of atoms and molecules
Page 48: Density functional theory of atoms and molecules
Page 49: Density functional theory of atoms and molecules
Page 50: Density functional theory of atoms and molecules
Page 51: Density functional theory of atoms and molecules
Page 52: Density functional theory of atoms and molecules
Page 53: Density functional theory of atoms and molecules
Page 54: Density functional theory of atoms and molecules
Page 55: Density functional theory of atoms and molecules
Page 56: Density functional theory of atoms and molecules
Page 57: Density functional theory of atoms and molecules
Page 58: Density functional theory of atoms and molecules
Page 59: Density functional theory of atoms and molecules
Page 60: Density functional theory of atoms and molecules
Page 61: Density functional theory of atoms and molecules
Page 62: Density functional theory of atoms and molecules
Page 63: Density functional theory of atoms and molecules
Page 64: Density functional theory of atoms and molecules
Page 65: Density functional theory of atoms and molecules
Page 66: Density functional theory of atoms and molecules
Page 67: Density functional theory of atoms and molecules
Page 68: Density functional theory of atoms and molecules
Page 69: Density functional theory of atoms and molecules
Page 70: Density functional theory of atoms and molecules
Page 71: Density functional theory of atoms and molecules
Page 72: Density functional theory of atoms and molecules
Page 73: Density functional theory of atoms and molecules
Page 74: Density functional theory of atoms and molecules
Page 75: Density functional theory of atoms and molecules
Page 76: Density functional theory of atoms and molecules
Page 77: Density functional theory of atoms and molecules
Page 78: Density functional theory of atoms and molecules
Page 79: Density functional theory of atoms and molecules
Page 80: Density functional theory of atoms and molecules
Page 81: Density functional theory of atoms and molecules
Page 82: Density functional theory of atoms and molecules
Page 83: Density functional theory of atoms and molecules
Page 84: Density functional theory of atoms and molecules
Page 85: Density functional theory of atoms and molecules
Page 86: Density functional theory of atoms and molecules
Page 87: Density functional theory of atoms and molecules
Page 88: Density functional theory of atoms and molecules
Page 89: Density functional theory of atoms and molecules
Page 90: Density functional theory of atoms and molecules
Page 91: Density functional theory of atoms and molecules
Page 92: Density functional theory of atoms and molecules
Page 93: Density functional theory of atoms and molecules
Page 94: Density functional theory of atoms and molecules
Page 95: Density functional theory of atoms and molecules
Page 96: Density functional theory of atoms and molecules
Page 97: Density functional theory of atoms and molecules
Page 98: Density functional theory of atoms and molecules
Page 99: Density functional theory of atoms and molecules
Page 100: Density functional theory of atoms and molecules
Page 101: Density functional theory of atoms and molecules
Page 102: Density functional theory of atoms and molecules
Page 103: Density functional theory of atoms and molecules
Page 104: Density functional theory of atoms and molecules
Page 105: Density functional theory of atoms and molecules
Page 106: Density functional theory of atoms and molecules
Page 107: Density functional theory of atoms and molecules
Page 108: Density functional theory of atoms and molecules
Page 109: Density functional theory of atoms and molecules
Page 110: Density functional theory of atoms and molecules
Page 111: Density functional theory of atoms and molecules
Page 112: Density functional theory of atoms and molecules
Page 113: Density functional theory of atoms and molecules
Page 114: Density functional theory of atoms and molecules
Page 115: Density functional theory of atoms and molecules
Page 116: Density functional theory of atoms and molecules
Page 117: Density functional theory of atoms and molecules
Page 118: Density functional theory of atoms and molecules
Page 119: Density functional theory of atoms and molecules
Page 120: Density functional theory of atoms and molecules
Page 121: Density functional theory of atoms and molecules
Page 122: Density functional theory of atoms and molecules
Page 123: Density functional theory of atoms and molecules
Page 124: Density functional theory of atoms and molecules
Page 125: Density functional theory of atoms and molecules
Page 126: Density functional theory of atoms and molecules
Page 127: Density functional theory of atoms and molecules
Page 128: Density functional theory of atoms and molecules
Page 129: Density functional theory of atoms and molecules
Page 130: Density functional theory of atoms and molecules
Page 131: Density functional theory of atoms and molecules
Page 132: Density functional theory of atoms and molecules
Page 133: Density functional theory of atoms and molecules
Page 134: Density functional theory of atoms and molecules
Page 135: Density functional theory of atoms and molecules
Page 136: Density functional theory of atoms and molecules
Page 137: Density functional theory of atoms and molecules
Page 138: Density functional theory of atoms and molecules
Page 139: Density functional theory of atoms and molecules
Page 140: Density functional theory of atoms and molecules
Page 141: Density functional theory of atoms and molecules
Page 142: Density functional theory of atoms and molecules
Page 143: Density functional theory of atoms and molecules
Page 144: Density functional theory of atoms and molecules
Page 145: Density functional theory of atoms and molecules
Page 146: Density functional theory of atoms and molecules
Page 147: Density functional theory of atoms and molecules
Page 148: Density functional theory of atoms and molecules
Page 149: Density functional theory of atoms and molecules
Page 150: Density functional theory of atoms and molecules
Page 151: Density functional theory of atoms and molecules
Page 152: Density functional theory of atoms and molecules
Page 153: Density functional theory of atoms and molecules
Page 154: Density functional theory of atoms and molecules
Page 155: Density functional theory of atoms and molecules
Page 156: Density functional theory of atoms and molecules
Page 157: Density functional theory of atoms and molecules
Page 158: Density functional theory of atoms and molecules
Page 159: Density functional theory of atoms and molecules
Page 160: Density functional theory of atoms and molecules
Page 161: Density functional theory of atoms and molecules
Page 162: Density functional theory of atoms and molecules
Page 163: Density functional theory of atoms and molecules
Page 164: Density functional theory of atoms and molecules
Page 165: Density functional theory of atoms and molecules
Page 166: Density functional theory of atoms and molecules
Page 167: Density functional theory of atoms and molecules
Page 168: Density functional theory of atoms and molecules
Page 169: Density functional theory of atoms and molecules
Page 170: Density functional theory of atoms and molecules
Page 171: Density functional theory of atoms and molecules
Page 172: Density functional theory of atoms and molecules
Page 173: Density functional theory of atoms and molecules
Page 174: Density functional theory of atoms and molecules
Page 175: Density functional theory of atoms and molecules
Page 176: Density functional theory of atoms and molecules
Page 177: Density functional theory of atoms and molecules
Page 178: Density functional theory of atoms and molecules
Page 179: Density functional theory of atoms and molecules
Page 180: Density functional theory of atoms and molecules
Page 181: Density functional theory of atoms and molecules
Page 182: Density functional theory of atoms and molecules
Page 183: Density functional theory of atoms and molecules
Page 184: Density functional theory of atoms and molecules
Page 185: Density functional theory of atoms and molecules
Page 186: Density functional theory of atoms and molecules
Page 187: Density functional theory of atoms and molecules
Page 188: Density functional theory of atoms and molecules
Page 189: Density functional theory of atoms and molecules
Page 190: Density functional theory of atoms and molecules
Page 191: Density functional theory of atoms and molecules
Page 192: Density functional theory of atoms and molecules
Page 193: Density functional theory of atoms and molecules
Page 194: Density functional theory of atoms and molecules
Page 195: Density functional theory of atoms and molecules
Page 196: Density functional theory of atoms and molecules
Page 197: Density functional theory of atoms and molecules
Page 198: Density functional theory of atoms and molecules
Page 199: Density functional theory of atoms and molecules
Page 200: Density functional theory of atoms and molecules
Page 201: Density functional theory of atoms and molecules
Page 202: Density functional theory of atoms and molecules
Page 203: Density functional theory of atoms and molecules
Page 204: Density functional theory of atoms and molecules
Page 205: Density functional theory of atoms and molecules
Page 206: Density functional theory of atoms and molecules
Page 207: Density functional theory of atoms and molecules
Page 208: Density functional theory of atoms and molecules
Page 209: Density functional theory of atoms and molecules
Page 210: Density functional theory of atoms and molecules
Page 211: Density functional theory of atoms and molecules
Page 212: Density functional theory of atoms and molecules
Page 213: Density functional theory of atoms and molecules
Page 214: Density functional theory of atoms and molecules
Page 215: Density functional theory of atoms and molecules
Page 216: Density functional theory of atoms and molecules
Page 217: Density functional theory of atoms and molecules
Page 218: Density functional theory of atoms and molecules
Page 219: Density functional theory of atoms and molecules
Page 220: Density functional theory of atoms and molecules
Page 221: Density functional theory of atoms and molecules
Page 222: Density functional theory of atoms and molecules
Page 223: Density functional theory of atoms and molecules
Page 224: Density functional theory of atoms and molecules
Page 225: Density functional theory of atoms and molecules
Page 226: Density functional theory of atoms and molecules
Page 227: Density functional theory of atoms and molecules
Page 228: Density functional theory of atoms and molecules
Page 229: Density functional theory of atoms and molecules
Page 230: Density functional theory of atoms and molecules
Page 231: Density functional theory of atoms and molecules
Page 232: Density functional theory of atoms and molecules
Page 233: Density functional theory of atoms and molecules
Page 234: Density functional theory of atoms and molecules
Page 235: Density functional theory of atoms and molecules
Page 236: Density functional theory of atoms and molecules
Page 237: Density functional theory of atoms and molecules
Page 238: Density functional theory of atoms and molecules
Page 239: Density functional theory of atoms and molecules
Page 240: Density functional theory of atoms and molecules
Page 241: Density functional theory of atoms and molecules
Page 242: Density functional theory of atoms and molecules
Page 243: Density functional theory of atoms and molecules
Page 244: Density functional theory of atoms and molecules
Page 245: Density functional theory of atoms and molecules
Page 246: Density functional theory of atoms and molecules
Page 247: Density functional theory of atoms and molecules
Page 248: Density functional theory of atoms and molecules
Page 249: Density functional theory of atoms and molecules
Page 250: Density functional theory of atoms and molecules
Page 251: Density functional theory of atoms and molecules
Page 252: Density functional theory of atoms and molecules
Page 253: Density functional theory of atoms and molecules
Page 254: Density functional theory of atoms and molecules
Page 255: Density functional theory of atoms and molecules
Page 256: Density functional theory of atoms and molecules
Page 257: Density functional theory of atoms and molecules
Page 258: Density functional theory of atoms and molecules
Page 259: Density functional theory of atoms and molecules
Page 260: Density functional theory of atoms and molecules
Page 261: Density functional theory of atoms and molecules
Page 262: Density functional theory of atoms and molecules
Page 263: Density functional theory of atoms and molecules
Page 264: Density functional theory of atoms and molecules
Page 265: Density functional theory of atoms and molecules
Page 266: Density functional theory of atoms and molecules
Page 267: Density functional theory of atoms and molecules
Page 268: Density functional theory of atoms and molecules
Page 269: Density functional theory of atoms and molecules
Page 270: Density functional theory of atoms and molecules
Page 271: Density functional theory of atoms and molecules
Page 272: Density functional theory of atoms and molecules
Page 273: Density functional theory of atoms and molecules
Page 274: Density functional theory of atoms and molecules
Page 275: Density functional theory of atoms and molecules
Page 276: Density functional theory of atoms and molecules
Page 277: Density functional theory of atoms and molecules
Page 278: Density functional theory of atoms and molecules
Page 279: Density functional theory of atoms and molecules
Page 280: Density functional theory of atoms and molecules
Page 281: Density functional theory of atoms and molecules
Page 282: Density functional theory of atoms and molecules
Page 283: Density functional theory of atoms and molecules
Page 284: Density functional theory of atoms and molecules
Page 285: Density functional theory of atoms and molecules
Page 286: Density functional theory of atoms and molecules
Page 287: Density functional theory of atoms and molecules
Page 288: Density functional theory of atoms and molecules
Page 289: Density functional theory of atoms and molecules
Page 290: Density functional theory of atoms and molecules
Page 291: Density functional theory of atoms and molecules
Page 292: Density functional theory of atoms and molecules
Page 293: Density functional theory of atoms and molecules
Page 294: Density functional theory of atoms and molecules
Page 295: Density functional theory of atoms and molecules
Page 296: Density functional theory of atoms and molecules
Page 297: Density functional theory of atoms and molecules
Page 298: Density functional theory of atoms and molecules
Page 299: Density functional theory of atoms and molecules
Page 300: Density functional theory of atoms and molecules
Page 301: Density functional theory of atoms and molecules
Page 302: Density functional theory of atoms and molecules
Page 303: Density functional theory of atoms and molecules
Page 304: Density functional theory of atoms and molecules
Page 305: Density functional theory of atoms and molecules
Page 306: Density functional theory of atoms and molecules
Page 307: Density functional theory of atoms and molecules
Page 308: Density functional theory of atoms and molecules
Page 309: Density functional theory of atoms and molecules
Page 310: Density functional theory of atoms and molecules
Page 311: Density functional theory of atoms and molecules
Page 312: Density functional theory of atoms and molecules
Page 313: Density functional theory of atoms and molecules
Page 314: Density functional theory of atoms and molecules
Page 315: Density functional theory of atoms and molecules
Page 316: Density functional theory of atoms and molecules
Page 317: Density functional theory of atoms and molecules
Page 318: Density functional theory of atoms and molecules
Page 319: Density functional theory of atoms and molecules
Page 320: Density functional theory of atoms and molecules
Page 321: Density functional theory of atoms and molecules
Page 322: Density functional theory of atoms and molecules
Page 323: Density functional theory of atoms and molecules
Page 324: Density functional theory of atoms and molecules
Page 325: Density functional theory of atoms and molecules
Page 326: Density functional theory of atoms and molecules
Page 327: Density functional theory of atoms and molecules
Page 328: Density functional theory of atoms and molecules
Page 329: Density functional theory of atoms and molecules
Page 330: Density functional theory of atoms and molecules
Page 331: Density functional theory of atoms and molecules
Page 332: Density functional theory of atoms and molecules
Page 333: Density functional theory of atoms and molecules
Page 334: Density functional theory of atoms and molecules
Page 335: Density functional theory of atoms and molecules
Page 336: Density functional theory of atoms and molecules
Page 337: Density functional theory of atoms and molecules
Page 338: Density functional theory of atoms and molecules

Molecules and Compounds. Atoms Molecules Cells

Atoms, Molecules & Ions

Atoms, Molecules and Ions - Honourscheminnerweb.ukzn.ac.za/Files/Atoms,molecules,nomenclature.pdf · Atoms, Molecules and Ions ... First observed by Henri Becquerel. ... • Because

Atoms and Molecules

ATOMS, MOLECULES, & IONS

Ch2 atoms&molecules

Atoms, Matter & Molecules

Chem - Atoms, Molecules

ATOMS AND MOLECULES - Educasiaeducasia.org/.../Atoms-and-Molecules-Teachers-book.pdf · 2 An outline of this lesson How Atoms Change Molecular bonds hold atoms together in molecules;

Density Functional Theory: from theory to Applications · Elementary Quantum Mechanics Density Functional Theory Recommended readings: I Density-Functional Theory of Atoms and Molecules

Atoms & Molecules

ATOMS, MOLECULES & STOICHIOMETRY

Atoms and Molecules - Educasiaeducasia.org/.../Atoms-and-Molecules-Students-book.pdf · 4 When atoms come together to make molecules, atoms cannot be destroyed and they cannot be

Atoms, Molecules and Ions Atoms, Molecules and Ions

Atoms Molecules Elements

Molecules Atoms, Ions,

Atoms, Ions, Molecules

Density-Functional Theory and Chemistry in One Dimension · Introduction Density-Functional Theory Chemistry of 1D Atoms Chemistry of 1D Molecules Conclusion Local-Density Approximation

Atoms, Molecules, and Ions Chapter 2 Atoms, Molecules, and Ions

Atoms, Molecules, Matter

Atoms, Molecules, and Ions Chapter 2 Atoms, Molecules, Ions

Atoms, ions, molecules y macromoleculeslafactoria.lec.csic.es/mcc/attachments/article/12... · atoms, molecules and crystals. 2) The electron density provides a minimum of the energy

Atoms, Molecules & Bonding

Atoms n Molecules

Atoms , molecules & nuclei

Atmosphere Notes. What are the properties of air? Mass – air consists of atoms and molecules. Mass – air consists of atoms and molecules. Density – the

Atoms in Molecules